4-amino-N-[3-(1H-benzimidazol-2-yl)propyl]pentanamide

C15H22N4O — CID 120564390

IUPAC4-amino-N-[3-(1H-benzimidazol-2-yl)propyl]pentanamide
SMILESCC(N)CCC(=O)NCCCc1nc2ccccc2[nH]1
InChIInChI=1S/C15H22N4O/c1-11(16)8-9-15(20)17-10-4-7-14-18-12-5-2-3-6-13(12)19-14/h2-3,5-6,11H,4,7-10,16H2,1H3,(H,17,20)(H,18,19)
InChIKeyHUOLKHFIIKUBFJ-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.74
Rot. Bonds7

About 4-amino-N-[3-(1H-benzimidazol-2-yl)propyl]pentanamide

4-amino-N-[3-(1H-benzimidazol-2-yl)propyl]pentanamide (PubChem CID 120564390) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 4-amino-N-[3-(1H-benzimidazol-2-yl)propyl]pentanamide.

Molecular Properties

Compound Name4-amino-N-[3-(1H-benzimidazol-2-yl)propyl]pentanamide
PubChem CID120564390
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name4-amino-N-[3-(1H-benzimidazol-2-yl)propyl]pentanamide
SMILESCC(N)CCC(=O)NCCCc1nc2ccccc2[nH]1
InChIInChI=1S/C15H22N4O/c1-11(16)8-9-15(20)17-10-4-7-14-18-12-5-2-3-6-13(12)19-14/h2-3,5-6,11H,4,7-10,16H2,1H3,(H,17,20)(H,18,19)
InChIKeyHUOLKHFIIKUBFJ-UHFFFAOYSA-N
XLogP1.74
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]pentanamide;dihydrochloride
CID 120564313
N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylpropanamide
CID 2140210
3-amino-N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylbutanamide;dihydrochloride
CID 120502679
N-[3-(1H-benzimidazol-2-yl)propyl]-3-phenylbutanamide
CID 134032843
1-N-[3-(1H-benzimidazol-2-yl)propyl]propane-1,2-diamine
CID 83961835
(2R)-2-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 119835125
N-[3-(1H-benzimidazol-2-yl)propyl]-3-(furan-2-yl)propanamide
CID 29303584
N-[3-(1H-benzimidazol-2-yl)propyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 29303573
2-amino-N-[3-(1H-benzimidazol-2-yl)propyl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669473
3-acetamido-N-[2-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 43229201
3-(1H-benzimidazol-2-yl)-N-[(2R)-2-hydroxypropyl]propanamide
CID 83031876
N-[3-(1H-benzimidazol-2-yl)propyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 30358132

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(1H-benzimidazol-2-yl)propyl]pentanamide?
The IUPAC name of 4-amino-N-[3-(1H-benzimidazol-2-yl)propyl]pentanamide (CID 120564390) is 4-amino-N-[3-(1H-benzimidazol-2-yl)propyl]pentanamide.
What is the SMILES notation for 4-amino-N-[3-(1H-benzimidazol-2-yl)propyl]pentanamide?
The canonical SMILES for 4-amino-N-[3-(1H-benzimidazol-2-yl)propyl]pentanamide is CC(N)CCC(=O)NCCCc1nc2ccccc2[nH]1.
What is the InChIKey of 4-amino-N-[3-(1H-benzimidazol-2-yl)propyl]pentanamide?
The InChIKey is HUOLKHFIIKUBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-11(16)8-9-15(20)17-10-4-7-14-18-12-5-2-3-6-13(12)19-14/h2-3,5-6,11H,4,7-10,16H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 4-amino-N-[3-(1H-benzimidazol-2-yl)propyl]pentanamide?
4-amino-N-[3-(1H-benzimidazol-2-yl)propyl]pentanamide has a molecular weight of 274.37 g/mol, XLogP of 1.74, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(1H-benzimidazol-2-yl)propyl]pentanamide is sourced from PubChem (CID 120564390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).