N-[(1-benzylbenzimidazol-2-yl)methyl]-3-methoxypropan-1-amine

C19H23N3O — CID 134084347

IUPACN-[(1-benzylbenzimidazol-2-yl)methyl]-3-methoxypropan-1-amine
SMILESCOCCCNCc1nc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C19H23N3O/c1-23-13-7-12-20-14-19-21-17-10-5-6-11-18(17)22(19)15-16-8-3-2-4-9-16/h2-6,8-11,20H,7,12-15H2,1H3
InChIKeyXDBHCGZDTXZRAX-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.21
Rot. Bonds8

About N-[(1-benzylbenzimidazol-2-yl)methyl]-3-methoxypropan-1-amine

N-[(1-benzylbenzimidazol-2-yl)methyl]-3-methoxypropan-1-amine (PubChem CID 134084347) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is N-[(1-benzylbenzimidazol-2-yl)methyl]-3-methoxypropan-1-amine.

Molecular Properties

Compound NameN-[(1-benzylbenzimidazol-2-yl)methyl]-3-methoxypropan-1-amine
PubChem CID134084347
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC NameN-[(1-benzylbenzimidazol-2-yl)methyl]-3-methoxypropan-1-amine
SMILESCOCCCNCc1nc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C19H23N3O/c1-23-13-7-12-20-14-19-21-17-10-5-6-11-18(17)22(19)15-16-8-3-2-4-9-16/h2-6,8-11,20H,7,12-15H2,1H3
InChIKeyXDBHCGZDTXZRAX-UHFFFAOYSA-N
XLogP3.21
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1-benzylbenzimidazol-2-yl)methyl]butan-1-amine
CID 134084343
N-[(1-benzylbenzimidazol-2-yl)methyl]-3-methylbutan-1-amine
CID 134084344
3-(4-benzylpiperazin-1-yl)-N-[(1-propylbenzimidazol-2-yl)methyl]propan-1-amine
CID 112844244
1-benzyl-2-[3-(1-benzylbenzimidazol-2-yl)propyl]benzimidazole
CID 21369618
1-benzyl-N-[(1-benzylbenzimidazol-2-yl)methyl]benzimidazol-2-amine
CID 2859099
N-[(1-benzylbenzimidazol-2-yl)methyl]-4-methoxybenzamide
CID 17008696
N-[(1-butylbenzimidazol-2-yl)methyl]-2-phenylethanamine
CID 134084304
N-[2-(1-benzylbenzimidazol-2-yl)ethyl]-2-methoxyacetamide
CID 16974552
1-benzyl-2-propylbenzimidazole
CID 764560
N-benzyl-4-(2-ethylbenzimidazol-1-yl)butan-1-amine
CID 134815891
N-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 17006669
N-(2-methoxyethyl)-3-(2-propylbenzimidazol-1-yl)propan-1-amine
CID 115970736

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylbenzimidazol-2-yl)methyl]-3-methoxypropan-1-amine?
The IUPAC name of N-[(1-benzylbenzimidazol-2-yl)methyl]-3-methoxypropan-1-amine (CID 134084347) is N-[(1-benzylbenzimidazol-2-yl)methyl]-3-methoxypropan-1-amine.
What is the SMILES notation for N-[(1-benzylbenzimidazol-2-yl)methyl]-3-methoxypropan-1-amine?
The canonical SMILES for N-[(1-benzylbenzimidazol-2-yl)methyl]-3-methoxypropan-1-amine is COCCCNCc1nc2ccccc2n1Cc1ccccc1.
What is the InChIKey of N-[(1-benzylbenzimidazol-2-yl)methyl]-3-methoxypropan-1-amine?
The InChIKey is XDBHCGZDTXZRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-23-13-7-12-20-14-19-21-17-10-5-6-11-18(17)22(19)15-16-8-3-2-4-9-16/h2-6,8-11,20H,7,12-15H2,1H3.
What are the key properties of N-[(1-benzylbenzimidazol-2-yl)methyl]-3-methoxypropan-1-amine?
N-[(1-benzylbenzimidazol-2-yl)methyl]-3-methoxypropan-1-amine has a molecular weight of 309.41 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylbenzimidazol-2-yl)methyl]-3-methoxypropan-1-amine is sourced from PubChem (CID 134084347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).