N-[4-[2-(1H-benzimidazol-2-yl)ethylamino]-4-oxobutyl]benzamide

C20H22N4O2 — CID 32757779

IUPACN-[4-[2-(1H-benzimidazol-2-yl)ethylamino]-4-oxobutyl]benzamide
SMILESO=C(CCCNC(=O)c1ccccc1)NCCc1nc2ccccc2[nH]1
InChIInChI=1S/C20H22N4O2/c25-19(11-6-13-22-20(26)15-7-2-1-3-8-15)21-14-12-18-23-16-9-4-5-10-17(16)24-18/h1-5,7-10H,6,11-14H2,(H,21,25)(H,22,26)(H,23,24)
InChIKeyNCKWPTBPGWEEHR-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.43
Rot. Bonds8

About N-[4-[2-(1H-benzimidazol-2-yl)ethylamino]-4-oxobutyl]benzamide

N-[4-[2-(1H-benzimidazol-2-yl)ethylamino]-4-oxobutyl]benzamide (PubChem CID 32757779) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[4-[2-(1H-benzimidazol-2-yl)ethylamino]-4-oxobutyl]benzamide.

Molecular Properties

Compound NameN-[4-[2-(1H-benzimidazol-2-yl)ethylamino]-4-oxobutyl]benzamide
PubChem CID32757779
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-[4-[2-(1H-benzimidazol-2-yl)ethylamino]-4-oxobutyl]benzamide
SMILESO=C(CCCNC(=O)c1ccccc1)NCCc1nc2ccccc2[nH]1
InChIInChI=1S/C20H22N4O2/c25-19(11-6-13-22-20(26)15-7-2-1-3-8-15)21-14-12-18-23-16-9-4-5-10-17(16)24-18/h1-5,7-10H,6,11-14H2,(H,21,25)(H,22,26)(H,23,24)
InChIKeyNCKWPTBPGWEEHR-UHFFFAOYSA-N
XLogP2.43
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.43
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]benzamide
CID 110462612
4-[2-(1H-benzimidazol-2-yl)ethylamino]-4-oxobutanoate
CID 6997429
N-[3-(1H-benzimidazol-2-yl)propyl]-4-methylbenzamide
CID 134032779
3-acetamido-N-[2-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 43229201
N-[2-(1H-benzimidazol-2-yl)ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 21008897
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-fluorophenyl)acetamide
CID 5297042
3-(1H-benzimidazol-2-yl)-N-(3-phenoxypropyl)propanamide
CID 42123055
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-butoxybenzamide
CID 4917285
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-oxobutanamide
CID 110460612
4-(acetamidomethyl)-N-[2-(1H-benzimidazol-2-yl)ethyl]benzamide
CID 17394585
3-(1H-benzimidazol-2-yl)-N-(3-phenylsulfanylpropyl)propanamide
CID 27163927
4-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]pentanamide;dihydrochloride
CID 120564313

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(1H-benzimidazol-2-yl)ethylamino]-4-oxobutyl]benzamide?
The IUPAC name of N-[4-[2-(1H-benzimidazol-2-yl)ethylamino]-4-oxobutyl]benzamide (CID 32757779) is N-[4-[2-(1H-benzimidazol-2-yl)ethylamino]-4-oxobutyl]benzamide.
What is the SMILES notation for N-[4-[2-(1H-benzimidazol-2-yl)ethylamino]-4-oxobutyl]benzamide?
The canonical SMILES for N-[4-[2-(1H-benzimidazol-2-yl)ethylamino]-4-oxobutyl]benzamide is O=C(CCCNC(=O)c1ccccc1)NCCc1nc2ccccc2[nH]1.
What is the InChIKey of N-[4-[2-(1H-benzimidazol-2-yl)ethylamino]-4-oxobutyl]benzamide?
The InChIKey is NCKWPTBPGWEEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c25-19(11-6-13-22-20(26)15-7-2-1-3-8-15)21-14-12-18-23-16-9-4-5-10-17(16)24-18/h1-5,7-10H,6,11-14H2,(H,21,25)(H,22,26)(H,23,24).
What are the key properties of N-[4-[2-(1H-benzimidazol-2-yl)ethylamino]-4-oxobutyl]benzamide?
N-[4-[2-(1H-benzimidazol-2-yl)ethylamino]-4-oxobutyl]benzamide has a molecular weight of 350.42 g/mol, XLogP of 2.43, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(1H-benzimidazol-2-yl)ethylamino]-4-oxobutyl]benzamide is sourced from PubChem (CID 32757779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).