N-[3-(benzimidazol-1-ylamino)-3-oxopropyl]-2-methylbenzamide

C18H18N4O2 — CID 35984037

IUPACN-[3-(benzimidazol-1-ylamino)-3-oxopropyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCCC(=O)Nn1cnc2ccccc21
InChIInChI=1S/C18H18N4O2/c1-13-6-2-3-7-14(13)18(24)19-11-10-17(23)21-22-12-20-15-8-4-5-9-16(15)22/h2-9,12H,10-11H2,1H3,(H,19,24)(H,21,23)
InChIKeySHKHCVPUPIHUQF-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.23
Rot. Bonds5

About N-[3-(benzimidazol-1-ylamino)-3-oxopropyl]-2-methylbenzamide

N-[3-(benzimidazol-1-ylamino)-3-oxopropyl]-2-methylbenzamide (PubChem CID 35984037) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-[3-(benzimidazol-1-ylamino)-3-oxopropyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[3-(benzimidazol-1-ylamino)-3-oxopropyl]-2-methylbenzamide
PubChem CID35984037
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC NameN-[3-(benzimidazol-1-ylamino)-3-oxopropyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCCC(=O)Nn1cnc2ccccc21
InChIInChI=1S/C18H18N4O2/c1-13-6-2-3-7-14(13)18(24)19-11-10-17(23)21-22-12-20-15-8-4-5-9-16(15)22/h2-9,12H,10-11H2,1H3,(H,19,24)(H,21,23)
InChIKeySHKHCVPUPIHUQF-UHFFFAOYSA-N
XLogP2.23
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(benzimidazol-1-ylamino)-3-oxopropyl]-4-nitrobenzamide
CID 25405015
N-(benzimidazol-1-yl)-3-oxobutanamide
CID 87961400
N-(benzimidazol-1-yl)acetamide
CID 2318657
2-(benzimidazol-1-ylcarbamoyl)benzoic acid
CID 134107318
N-(benzimidazol-1-yl)-2-benzylbenzamide
CID 27161774
N-(benzimidazol-1-yl)-2-bromobenzamide
CID 24535711
2-methyl-N-[3-oxo-3-(prop-2-enylamino)propyl]benzamide
CID 9076728
N-[3-(cycloheptylamino)-3-oxopropyl]-2-methylbenzamide
CID 9082220
N-(benzimidazol-1-yl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 34334624
2-methyl-N-[3-[2-(4-methylbenzoyl)hydrazinyl]-3-oxopropyl]benzamide
CID 9086797
N-(benzimidazol-1-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 18126203
ethane;N-(2-hydroxyethyl)-2-methylbenzamide
CID 143093743

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzimidazol-1-ylamino)-3-oxopropyl]-2-methylbenzamide?
The IUPAC name of N-[3-(benzimidazol-1-ylamino)-3-oxopropyl]-2-methylbenzamide (CID 35984037) is N-[3-(benzimidazol-1-ylamino)-3-oxopropyl]-2-methylbenzamide.
What is the SMILES notation for N-[3-(benzimidazol-1-ylamino)-3-oxopropyl]-2-methylbenzamide?
The canonical SMILES for N-[3-(benzimidazol-1-ylamino)-3-oxopropyl]-2-methylbenzamide is Cc1ccccc1C(=O)NCCC(=O)Nn1cnc2ccccc21.
What is the InChIKey of N-[3-(benzimidazol-1-ylamino)-3-oxopropyl]-2-methylbenzamide?
The InChIKey is SHKHCVPUPIHUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-13-6-2-3-7-14(13)18(24)19-11-10-17(23)21-22-12-20-15-8-4-5-9-16(15)22/h2-9,12H,10-11H2,1H3,(H,19,24)(H,21,23).
What are the key properties of N-[3-(benzimidazol-1-ylamino)-3-oxopropyl]-2-methylbenzamide?
N-[3-(benzimidazol-1-ylamino)-3-oxopropyl]-2-methylbenzamide has a molecular weight of 322.37 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzimidazol-1-ylamino)-3-oxopropyl]-2-methylbenzamide is sourced from PubChem (CID 35984037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).