N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-5-(carbamoylamino)pentanamide

C21H25N5O2 — CID 60602251

IUPACN-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-5-(carbamoylamino)pentanamide
SMILESNC(=O)NCCCCC(=O)NCc1cccc(Cn2cnc3ccccc32)c1
InChIInChI=1S/C21H25N5O2/c22-21(28)23-11-4-3-10-20(27)24-13-16-6-5-7-17(12-16)14-26-15-25-18-8-1-2-9-19(18)26/h1-2,5-9,12,15H,3-4,10-11,13-14H2,(H,24,27)(H3,22,23,28)
InChIKeyQEFFWQLXEORWPQ-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.54
Rot. Bonds9

About N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-5-(carbamoylamino)pentanamide

N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-5-(carbamoylamino)pentanamide (PubChem CID 60602251) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-5-(carbamoylamino)pentanamide.

Molecular Properties

Compound NameN-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-5-(carbamoylamino)pentanamide
PubChem CID60602251
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC NameN-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-5-(carbamoylamino)pentanamide
SMILESNC(=O)NCCCCC(=O)NCc1cccc(Cn2cnc3ccccc32)c1
InChIInChI=1S/C21H25N5O2/c22-21(28)23-11-4-3-10-20(27)24-13-16-6-5-7-17(12-16)14-26-15-25-18-8-1-2-9-19(18)26/h1-2,5-9,12,15H,3-4,10-11,13-14H2,(H,24,27)(H3,22,23,28)
InChIKeyQEFFWQLXEORWPQ-UHFFFAOYSA-N
XLogP2.54
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-5-(carbamoylamino)pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]butanamide
CID 119862887
1-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-(2-hydroxyethyl)urea
CID 110911543
N-[2-[[3-(benzimidazol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 155516452
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-[2-[[3-(benzimidazol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]-3,4-diethoxybenzamide
CID 154859119
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
1-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-(oxolan-3-yl)urea
CID 126772299
1-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-butylurea
CID 48915751

Frequently Asked Questions

What is the IUPAC name of N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-5-(carbamoylamino)pentanamide?
The IUPAC name of N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-5-(carbamoylamino)pentanamide (CID 60602251) is N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-5-(carbamoylamino)pentanamide.
What is the SMILES notation for N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-5-(carbamoylamino)pentanamide?
The canonical SMILES for N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-5-(carbamoylamino)pentanamide is NC(=O)NCCCCC(=O)NCc1cccc(Cn2cnc3ccccc32)c1.
What is the InChIKey of N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-5-(carbamoylamino)pentanamide?
The InChIKey is QEFFWQLXEORWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c22-21(28)23-11-4-3-10-20(27)24-13-16-6-5-7-17(12-16)14-26-15-25-18-8-1-2-9-19(18)26/h1-2,5-9,12,15H,3-4,10-11,13-14H2,(H,24,27)(H3,22,23,28).
What are the key properties of N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-5-(carbamoylamino)pentanamide?
N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-5-(carbamoylamino)pentanamide has a molecular weight of 379.46 g/mol, XLogP of 2.54, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-5-(carbamoylamino)pentanamide is sourced from PubChem (CID 60602251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).