N-(3-aminopropyl)-N-[1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-4,5-dimethylthiophene-2-carboxamide

C28H34N4OS — CID 68665337

IUPACN-(3-aminopropyl)-N-[1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-4,5-dimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)N(CCCN)C(c2nc3ccccc3n2Cc2ccccc2)C(C)C)sc1C
InChIInChI=1S/C28H34N4OS/c1-19(2)26(31(16-10-15-29)28(33)25-17-20(3)21(4)34-25)27-30-23-13-8-9-14-24(23)32(27)18-22-11-6-5-7-12-22/h5-9,11-14,17,19,26H,10,15-16,18,29H2,1-4H3
InChIKeyYUDJKNBXNBTODX-UHFFFAOYSA-N
MW474.67 g/mol
LogP5.95
Rot. Bonds9

About N-(3-aminopropyl)-N-[1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-4,5-dimethylthiophene-2-carboxamide

N-(3-aminopropyl)-N-[1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-4,5-dimethylthiophene-2-carboxamide (PubChem CID 68665337) has the molecular formula C28H34N4OS and a molecular weight of 474.67 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-[1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-4,5-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-[1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-4,5-dimethylthiophene-2-carboxamide
PubChem CID68665337
Molecular FormulaC28H34N4OS
Molecular Weight474.67 g/mol
Exact Mass474.25
IUPAC NameN-(3-aminopropyl)-N-[1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-4,5-dimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)N(CCCN)C(c2nc3ccccc3n2Cc2ccccc2)C(C)C)sc1C
InChIInChI=1S/C28H34N4OS/c1-19(2)26(31(16-10-15-29)28(33)25-17-20(3)21(4)34-25)27-30-23-13-8-9-14-24(23)32(27)18-22-11-6-5-7-12-22/h5-9,11-14,17,19,26H,10,15-16,18,29H2,1-4H3
InChIKeyYUDJKNBXNBTODX-UHFFFAOYSA-N
XLogP5.95
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.67
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-[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
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N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-5-ethylbenzimidazol-2-yl)-2-methylpropyl]-4-methylbenzamide
CID 11503978
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
N-(3-aminopropyl)-N-[1-(1-benzyl-5-ethynylbenzimidazol-2-yl)-2-methylpropyl]-4-methylbenzamide
CID 73031789
N-(3-aminopropyl)-N-[(1R)-1-[5-bromo-1-[(3,5-difluorophenyl)methyl]benzimidazol-2-yl]-2-methylpropyl]benzamide
CID 11592103
N-(3-aminopropyl)-N-[1-[1-[(3-hydroxyphenyl)methyl]-5-methylbenzimidazol-2-yl]-2-methylpropyl]-4-methylbenzamide
CID 73010270
N-(3-aminopropyl)-N-[(1R)-1-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)-2-methylpropyl]-4-methylbenzamide
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N-[1-(1-benzyl-5-chlorobenzimidazol-2-yl)-2-methylpropyl]-N-[3-(diethylamino)propyl]-4-methylbenzamide
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N-(3-aminopropyl)-N-[(1R)-1-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)-2-methylpropyl]-4-fluorobenzamide
CID 71508543
N-(3-aminopropyl)-N-[1-[1-benzyl-5-(3,4-dimethylphenyl)-4-methyl-6-oxopyrimidin-2-yl]-2-methylpropyl]-4-methylbenzamide
CID 21076869

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-[1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-4,5-dimethylthiophene-2-carboxamide?
The IUPAC name of N-(3-aminopropyl)-N-[1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-4,5-dimethylthiophene-2-carboxamide (CID 68665337) is N-(3-aminopropyl)-N-[1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-4,5-dimethylthiophene-2-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-N-[1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-4,5-dimethylthiophene-2-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-N-[1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-4,5-dimethylthiophene-2-carboxamide is Cc1cc(C(=O)N(CCCN)C(c2nc3ccccc3n2Cc2ccccc2)C(C)C)sc1C.
What is the InChIKey of N-(3-aminopropyl)-N-[1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-4,5-dimethylthiophene-2-carboxamide?
The InChIKey is YUDJKNBXNBTODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4OS/c1-19(2)26(31(16-10-15-29)28(33)25-17-20(3)21(4)34-25)27-30-23-13-8-9-14-24(23)32(27)18-22-11-6-5-7-12-22/h5-9,11-14,17,19,26H,10,15-16,18,29H2,1-4H3.
What are the key properties of N-(3-aminopropyl)-N-[1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-4,5-dimethylthiophene-2-carboxamide?
N-(3-aminopropyl)-N-[1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-4,5-dimethylthiophene-2-carboxamide has a molecular weight of 474.67 g/mol, XLogP of 5.95, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-[1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-4,5-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 68665337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).