4-(aminomethyl)-N-[1-(1H-benzimidazol-2-yl)ethyl]benzamide

C17H18N4O — CID 82546053

IUPAC4-(aminomethyl)-N-[1-(1H-benzimidazol-2-yl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(CN)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C17H18N4O/c1-11(16-20-14-4-2-3-5-15(14)21-16)19-17(22)13-8-6-12(10-18)7-9-13/h2-9,11H,10,18H2,1H3,(H,19,22)(H,20,21)
InChIKeyYOJWWSBOWACPNN-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.51
Rot. Bonds4

About 4-(aminomethyl)-N-[1-(1H-benzimidazol-2-yl)ethyl]benzamide

4-(aminomethyl)-N-[1-(1H-benzimidazol-2-yl)ethyl]benzamide (PubChem CID 82546053) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[1-(1H-benzimidazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[1-(1H-benzimidazol-2-yl)ethyl]benzamide
PubChem CID82546053
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name4-(aminomethyl)-N-[1-(1H-benzimidazol-2-yl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(CN)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C17H18N4O/c1-11(16-20-14-4-2-3-5-15(14)21-16)19-17(22)13-8-6-12(10-18)7-9-13/h2-9,11H,10,18H2,1H3,(H,19,22)(H,20,21)
InChIKeyYOJWWSBOWACPNN-UHFFFAOYSA-N
XLogP2.51
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-chlorobenzamide
CID 920428
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-4-(3-hydroxy-3-methylbutyl)benzamide
CID 95872440
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-methylsulfinylbenzamide
CID 78806018
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-fluorobenzamide
CID 18116392
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-(1H-pyrazol-5-yl)benzamide
CID 74232246
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 95233258
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]pyridine-3-carboxamide
CID 30157421
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 751231
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 2156760
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-methoxybenzamide
CID 18116381
N-[1-(1H-benzimidazol-2-yl)ethyl]-3-(propanoylamino)benzamide
CID 60509786
N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide
CID 3149717

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[1-(1H-benzimidazol-2-yl)ethyl]benzamide?
The IUPAC name of 4-(aminomethyl)-N-[1-(1H-benzimidazol-2-yl)ethyl]benzamide (CID 82546053) is 4-(aminomethyl)-N-[1-(1H-benzimidazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-[1-(1H-benzimidazol-2-yl)ethyl]benzamide?
The canonical SMILES for 4-(aminomethyl)-N-[1-(1H-benzimidazol-2-yl)ethyl]benzamide is CC(NC(=O)c1ccc(CN)cc1)c1nc2ccccc2[nH]1.
What is the InChIKey of 4-(aminomethyl)-N-[1-(1H-benzimidazol-2-yl)ethyl]benzamide?
The InChIKey is YOJWWSBOWACPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-11(16-20-14-4-2-3-5-15(14)21-16)19-17(22)13-8-6-12(10-18)7-9-13/h2-9,11H,10,18H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 4-(aminomethyl)-N-[1-(1H-benzimidazol-2-yl)ethyl]benzamide?
4-(aminomethyl)-N-[1-(1H-benzimidazol-2-yl)ethyl]benzamide has a molecular weight of 294.36 g/mol, XLogP of 2.51, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[1-(1H-benzimidazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 82546053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).