4-amino-N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]butanamide

C19H22N4O — CID 119862887

IUPAC4-amino-N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]butanamide
SMILESNCCCC(=O)NCc1cccc(Cn2cnc3ccccc32)c1
InChIInChI=1S/C19H22N4O/c20-10-4-9-19(24)21-12-15-5-3-6-16(11-15)13-23-14-22-17-7-1-2-8-18(17)23/h1-3,5-8,11,14H,4,9-10,12-13,20H2,(H,21,24)
InChIKeyRJYJZYNLEAWCNF-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.44
Rot. Bonds7

About 4-amino-N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]butanamide

4-amino-N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]butanamide (PubChem CID 119862887) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 4-amino-N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]butanamide
PubChem CID119862887
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name4-amino-N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]butanamide
SMILESNCCCC(=O)NCc1cccc(Cn2cnc3ccccc32)c1
InChIInChI=1S/C19H22N4O/c20-10-4-9-19(24)21-12-15-5-3-6-16(11-15)13-23-14-22-17-7-1-2-8-18(17)23/h1-3,5-8,11,14H,4,9-10,12-13,20H2,(H,21,24)
InChIKeyRJYJZYNLEAWCNF-UHFFFAOYSA-N
XLogP2.44
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-5-(carbamoylamino)pentanamide
CID 60602251
N-[2-[[3-(benzimidazol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 155516452
1-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-(2-hydroxyethyl)urea
CID 110911543
3-(benzimidazol-1-yl)-N-[(3-methylphenyl)methyl]propanamide
CID 34166297
N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-hydroxycyclopentane-1-carboxamide
CID 110014574
3-(benzimidazol-1-yl)-N-benzylpropanamide
CID 4972644
(3R)-N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]oxolane-3-carboxamide
CID 129369123
N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-4-cyano-3-fluorobenzamide
CID 155536361
N-[2-[[3-(benzimidazol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]-3,4-diethoxybenzamide
CID 154859119
7-amino-N-[[4-(benzimidazol-1-yl)phenyl]methyl]heptanamide
CID 119760545
1-[[3-(benzimidazol-1-ylmethyl)phenyl]methylcarbamoyl]piperidine-4-carboxylic acid
CID 122004444
N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941556

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]butanamide?
The IUPAC name of 4-amino-N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]butanamide (CID 119862887) is 4-amino-N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]butanamide.
What is the SMILES notation for 4-amino-N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]butanamide?
The canonical SMILES for 4-amino-N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]butanamide is NCCCC(=O)NCc1cccc(Cn2cnc3ccccc32)c1.
What is the InChIKey of 4-amino-N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]butanamide?
The InChIKey is RJYJZYNLEAWCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c20-10-4-9-19(24)21-12-15-5-3-6-16(11-15)13-23-14-22-17-7-1-2-8-18(17)23/h1-3,5-8,11,14H,4,9-10,12-13,20H2,(H,21,24).
What are the key properties of 4-amino-N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]butanamide?
4-amino-N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]butanamide has a molecular weight of 322.41 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]butanamide is sourced from PubChem (CID 119862887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).