7-amino-N-[[4-(benzimidazol-1-yl)phenyl]methyl]heptanamide

C21H26N4O — CID 119760545

IUPAC7-amino-N-[[4-(benzimidazol-1-yl)phenyl]methyl]heptanamide
SMILESNCCCCCCC(=O)NCc1ccc(-n2cnc3ccccc32)cc1
InChIInChI=1S/C21H26N4O/c22-14-6-2-1-3-9-21(26)23-15-17-10-12-18(13-11-17)25-16-24-19-7-4-5-8-20(19)25/h4-5,7-8,10-13,16H,1-3,6,9,14-15,22H2,(H,23,26)
InChIKeyNKASUKOGBBYDMW-UHFFFAOYSA-N
MW350.47 g/mol
LogP3.55
Rot. Bonds9

About 7-amino-N-[[4-(benzimidazol-1-yl)phenyl]methyl]heptanamide

7-amino-N-[[4-(benzimidazol-1-yl)phenyl]methyl]heptanamide (PubChem CID 119760545) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is 7-amino-N-[[4-(benzimidazol-1-yl)phenyl]methyl]heptanamide.

Molecular Properties

Compound Name7-amino-N-[[4-(benzimidazol-1-yl)phenyl]methyl]heptanamide
PubChem CID119760545
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name7-amino-N-[[4-(benzimidazol-1-yl)phenyl]methyl]heptanamide
SMILESNCCCCCCC(=O)NCc1ccc(-n2cnc3ccccc32)cc1
InChIInChI=1S/C21H26N4O/c22-14-6-2-1-3-9-21(26)23-15-17-10-12-18(13-11-17)25-16-24-19-7-4-5-8-20(19)25/h4-5,7-8,10-13,16H,1-3,6,9,14-15,22H2,(H,23,26)
InChIKeyNKASUKOGBBYDMW-UHFFFAOYSA-N
XLogP3.55
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-amino-N-[4-(benzimidazol-1-yl)phenyl]heptanamide;dihydrochloride
CID 119834351
7-amino-N-[(1-methylbenzimidazol-2-yl)methyl]heptanamide;dihydrochloride
CID 119834811
7-amino-N-[(4-pyrazol-1-ylphenyl)methyl]heptanamide;hydrochloride
CID 119725260
1-[[4-(benzimidazol-1-yl)phenyl]methyl]-3-(2-hydroxyphenyl)urea
CID 169434130
4-amino-N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]butanamide
CID 119862887
(2S)-2-amino-N-[[4-(benzimidazol-1-yl)phenyl]methyl]-3,3-dimethylbutanamide;hydrochloride
CID 119760560
7-amino-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]heptanamide
CID 119866354
3-(benzimidazol-1-yl)-N-benzylpropanamide
CID 4972644
(2R)-N-[[4-(benzimidazol-1-yl)phenyl]methyl]-2-methylsulfonylpropanamide
CID 52535721
N-[[4-(benzimidazol-1-yl)phenyl]methyl]pyrazine-2-carboxamide
CID 49004009
7-amino-N-[(4-chlorophenyl)methyl]heptanamide
CID 28738770
3-[[4-(benzimidazol-1-yl)phenyl]methyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 49133984

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[[4-(benzimidazol-1-yl)phenyl]methyl]heptanamide?
The IUPAC name of 7-amino-N-[[4-(benzimidazol-1-yl)phenyl]methyl]heptanamide (CID 119760545) is 7-amino-N-[[4-(benzimidazol-1-yl)phenyl]methyl]heptanamide.
What is the SMILES notation for 7-amino-N-[[4-(benzimidazol-1-yl)phenyl]methyl]heptanamide?
The canonical SMILES for 7-amino-N-[[4-(benzimidazol-1-yl)phenyl]methyl]heptanamide is NCCCCCCC(=O)NCc1ccc(-n2cnc3ccccc32)cc1.
What is the InChIKey of 7-amino-N-[[4-(benzimidazol-1-yl)phenyl]methyl]heptanamide?
The InChIKey is NKASUKOGBBYDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c22-14-6-2-1-3-9-21(26)23-15-17-10-12-18(13-11-17)25-16-24-19-7-4-5-8-20(19)25/h4-5,7-8,10-13,16H,1-3,6,9,14-15,22H2,(H,23,26).
What are the key properties of 7-amino-N-[[4-(benzimidazol-1-yl)phenyl]methyl]heptanamide?
7-amino-N-[[4-(benzimidazol-1-yl)phenyl]methyl]heptanamide has a molecular weight of 350.47 g/mol, XLogP of 3.55, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[[4-(benzimidazol-1-yl)phenyl]methyl]heptanamide is sourced from PubChem (CID 119760545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).