N-(3-aminopropyl)-N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-2-methoxybenzamide;N-(3-aminopropyl)-N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-3-methylbenzamide;N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-5,6-dimethylbenzimidazol-2-yl)-2-methylpropyl]-4-methylbenzamide

C89H106N12O4 — CID 159320861

IUPACN-(3-aminopropyl)-N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-2-methoxybenzamide;N-(3-aminopropyl)-N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-3-methylbenzamide;N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-5,6-dimethylbenzimidazol-2-yl)-2-methylpropyl]-4-methylbenzamide
SMILESCOc1ccccc1C(=O)N(CCCN)[C@@H](c1nc2ccccc2n1Cc1ccccc1)C(C)C.Cc1ccc(C(=O)N(CCCN)[C@@H](c2nc3cc(C)c(C)cc3n2Cc2ccccc2)C(C)C)cc1.Cc1cccc(C(=O)N(CCCN)[C@@H](c2nc3ccccc3n2Cc2ccccc2)C(C)C)c1
InChIInChI=1S/C31H38N4O.C29H34N4O2.C29H34N4O/c1-21(2)29(34(17-9-16-32)31(36)26-14-12-22(3)13-15-26)30-33-27-18-23(4)24(5)19-28(27)35(30)20-25-10-7-6-8-11-25;1-21(2)27(32(19-11-18-30)29(34)23-14-7-10-17-26(23)35-3)28-31-24-15-8-9-16-25(24)33(28)20-22-12-5-4-6-13-22;1-21(2)27(32(18-10-17-30)29(34)24-14-9-11-22(3)19-24)28-31-25-15-7-8-16-26(25)33(28)20-23-12-5-4-6-13-23/h6-8,10-15,18-19,21,29H,9,16-17,20,32H2,1-5H3;4-10,12-17,21,27H,11,18-20,30H2,1-3H3;4-9,11-16,19,21,27H,10,17-18,20,30H2,1-3H3/t29-;2*27-/m111/s1
InChIKeyLDTAAQICMHAUIP-GZEDOXGJSA-N
MW1407.91 g/mol
LogP17.06
Rot. Bonds28

About N-(3-aminopropyl)-N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-2-methoxybenzamide;N-(3-aminopropyl)-N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-3-methylbenzamide;N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-5,6-dimethylbenzimidazol-2-yl)-2-methylpropyl]-4-methylbenzamide

N-(3-aminopropyl)-N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-2-methoxybenzamide;N-(3-aminopropyl)-N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-3-methylbenzamide;N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-5,6-dimethylbenzimidazol-2-yl)-2-methylpropyl]-4-methylbenzamide (PubChem CID 159320861) has the molecular formula C89H106N12O4 and a molecular weight of 1407.91 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-2-methoxybenzamide;N-(3-aminopropyl)-N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-3-methylbenzamide;N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-5,6-dimethylbenzimidazol-2-yl)-2-methylpropyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-2-methoxybenzamide;N-(3-aminopropyl)-N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-3-methylbenzamide;N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-5,6-dimethylbenzimidazol-2-yl)-2-methylpropyl]-4-methylbenzamide
PubChem CID159320861
Molecular FormulaC89H106N12O4
Molecular Weight1407.91 g/mol
Exact Mass1406.85
IUPAC NameN-(3-aminopropyl)-N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-2-methoxybenzamide;N-(3-aminopropyl)-N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-3-methylbenzamide;N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-5,6-dimethylbenzimidazol-2-yl)-2-methylpropyl]-4-methylbenzamide
SMILESCOc1ccccc1C(=O)N(CCCN)[C@@H](c1nc2ccccc2n1Cc1ccccc1)C(C)C.Cc1ccc(C(=O)N(CCCN)[C@@H](c2nc3cc(C)c(C)cc3n2Cc2ccccc2)C(C)C)cc1.Cc1cccc(C(=O)N(CCCN)[C@@H](c2nc3ccccc3n2Cc2ccccc2)C(C)C)c1
InChIInChI=1S/C31H38N4O.C29H34N4O2.C29H34N4O/c1-21(2)29(34(17-9-16-32)31(36)26-14-12-22(3)13-15-26)30-33-27-18-23(4)24(5)19-28(27)35(30)20-25-10-7-6-8-11-25;1-21(2)27(32(19-11-18-30)29(34)23-14-7-10-17-26(23)35-3)28-31-24-15-8-9-16-25(24)33(28)20-22-12-5-4-6-13-22;1-21(2)27(32(18-10-17-30)29(34)24-14-9-11-22(3)19-24)28-31-25-15-7-8-16-26(25)33(28)20-23-12-5-4-6-13-23/h6-8,10-15,18-19,21,29H,9,16-17,20,32H2,1-5H3;4-10,12-17,21,27H,11,18-20,30H2,1-3H3;4-9,11-16,19,21,27H,10,17-18,20,30H2,1-3H3/t29-;2*27-/m111/s1
InChIKeyLDTAAQICMHAUIP-GZEDOXGJSA-N
XLogP17.06
TPSA201.68 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds28
Heavy Atoms105
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001407.91
LogP ≤ 517.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Analyze N-(3-aminopropyl)-N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-2-methoxybenzamide;N-(3-aminopropyl)-N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-3-methylbenzamide;N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-5,6-dimethylbenzimidazol-2-yl)-2-methylpropyl]-4-methylbenzamide with MolForge

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Related Compounds

N-(3-aminopropyl)-N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-2-methylbenzamide
CID 11662472
N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-5-ethylbenzimidazol-2-yl)-2-methylpropyl]-4-methylbenzamide
CID 11503978
N-(3-aminopropyl)-N-[1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-6-methylpyridine-3-carboxamide
CID 68665367
N-(3-aminopropyl)-N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-4-bromobenzamide
CID 11670841
N-(3-aminopropyl)-N-[1-[1-[(3-hydroxyphenyl)methyl]-5-methylbenzimidazol-2-yl]-2-methylpropyl]-4-methylbenzamide
CID 73010270
N-(3-aminopropyl)-N-[1-(1-benzyl-5-ethynylbenzimidazol-2-yl)-2-methylpropyl]-4-methylbenzamide
CID 73031789
N-(3-aminopropyl)-N-[1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-4,5-dimethylthiophene-2-carboxamide
CID 68665337
N-(3-aminopropyl)-N-[(1R)-1-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)-2-methylpropyl]-4-methylbenzamide
CID 6851740
N-[1-(1-benzyl-5-chlorobenzimidazol-2-yl)-2-methylpropyl]-N-[3-(diethylamino)propyl]-4-methylbenzamide
CID 73007986
N-(3-aminopropyl)-N-[1-[1-benzyl-5-(3,4-dimethylphenyl)-4-methyl-6-oxopyrimidin-2-yl]-2-methylpropyl]-4-methylbenzamide
CID 21076869
N-(3-aminopropyl)-N-[(1R)-1-[1-[(3-ethenylphenyl)methyl]-5-ethylbenzimidazol-2-yl]-2-methylpropyl]-4-methylbenzamide
CID 143224834
N-(3-aminopropyl)-N-[1-(7-benzyl-8-oxopyrimido[5,4-c]pyridazin-6-yl)-2-methylpropyl]-4-methylbenzamide
CID 22172601

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-2-methoxybenzamide;N-(3-aminopropyl)-N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-3-methylbenzamide;N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-5,6-dimethylbenzimidazol-2-yl)-2-methylpropyl]-4-methylbenzamide?
The IUPAC name of N-(3-aminopropyl)-N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-2-methoxybenzamide;N-(3-aminopropyl)-N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-3-methylbenzamide;N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-5,6-dimethylbenzimidazol-2-yl)-2-methylpropyl]-4-methylbenzamide (CID 159320861) is N-(3-aminopropyl)-N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-2-methoxybenzamide;N-(3-aminopropyl)-N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-3-methylbenzamide;N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-5,6-dimethylbenzimidazol-2-yl)-2-methylpropyl]-4-methylbenzamide.
What is the SMILES notation for N-(3-aminopropyl)-N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-2-methoxybenzamide;N-(3-aminopropyl)-N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-3-methylbenzamide;N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-5,6-dimethylbenzimidazol-2-yl)-2-methylpropyl]-4-methylbenzamide?
The canonical SMILES for N-(3-aminopropyl)-N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-2-methoxybenzamide;N-(3-aminopropyl)-N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-3-methylbenzamide;N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-5,6-dimethylbenzimidazol-2-yl)-2-methylpropyl]-4-methylbenzamide is COc1ccccc1C(=O)N(CCCN)[C@@H](c1nc2ccccc2n1Cc1ccccc1)C(C)C.Cc1ccc(C(=O)N(CCCN)[C@@H](c2nc3cc(C)c(C)cc3n2Cc2ccccc2)C(C)C)cc1.Cc1cccc(C(=O)N(CCCN)[C@@H](c2nc3ccccc3n2Cc2ccccc2)C(C)C)c1.
What is the InChIKey of N-(3-aminopropyl)-N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-2-methoxybenzamide;N-(3-aminopropyl)-N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-3-methylbenzamide;N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-5,6-dimethylbenzimidazol-2-yl)-2-methylpropyl]-4-methylbenzamide?
The InChIKey is LDTAAQICMHAUIP-GZEDOXGJSA-N. The full InChI is InChI=1S/C31H38N4O.C29H34N4O2.C29H34N4O/c1-21(2)29(34(17-9-16-32)31(36)26-14-12-22(3)13-15-26)30-33-27-18-23(4)24(5)19-28(27)35(30)20-25-10-7-6-8-11-25;1-21(2)27(32(19-11-18-30)29(34)23-14-7-10-17-26(23)35-3)28-31-24-15-8-9-16-25(24)33(28)20-22-12-5-4-6-13-22;1-21(2)27(32(18-10-17-30)29(34)24-14-9-11-22(3)19-24)28-31-25-15-7-8-16-26(25)33(28)20-23-12-5-4-6-13-23/h6-8,10-15,18-19,21,29H,9,16-17,20,32H2,1-5H3;4-10,12-17,21,27H,11,18-20,30H2,1-3H3;4-9,11-16,19,21,27H,10,17-18,20,30H2,1-3H3/t29-;2*27-/m111/s1.
What are the key properties of N-(3-aminopropyl)-N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-2-methoxybenzamide;N-(3-aminopropyl)-N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-3-methylbenzamide;N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-5,6-dimethylbenzimidazol-2-yl)-2-methylpropyl]-4-methylbenzamide?
N-(3-aminopropyl)-N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-2-methoxybenzamide;N-(3-aminopropyl)-N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-3-methylbenzamide;N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-5,6-dimethylbenzimidazol-2-yl)-2-methylpropyl]-4-methylbenzamide has a molecular weight of 1407.91 g/mol, XLogP of 17.06, 28 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-2-methoxybenzamide;N-(3-aminopropyl)-N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-3-methylbenzamide;N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-5,6-dimethylbenzimidazol-2-yl)-2-methylpropyl]-4-methylbenzamide is sourced from PubChem (CID 159320861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).