1-(cyclopropylmethyl)-N-(1,3-oxazol-4-ylmethyl)-2-oxo-3H-benzimidazole-5-carboxamide

C16H16N4O3 — CID 138026041

IUPAC1-(cyclopropylmethyl)-N-(1,3-oxazol-4-ylmethyl)-2-oxo-3H-benzimidazole-5-carboxamide
SMILESO=C(NCc1cocn1)c1ccc2c(c1)[nH]c(=O)n2CC1CC1
InChIInChI=1S/C16H16N4O3/c21-15(17-6-12-8-23-9-18-12)11-3-4-14-13(5-11)19-16(22)20(14)7-10-1-2-10/h3-5,8-10H,1-2,6-7H2,(H,17,21)(H,19,22)
InChIKeySOMRWZFHSXWVHQ-UHFFFAOYSA-N
MW312.33 g/mol
LogP1.66
Rot. Bonds5

About 1-(cyclopropylmethyl)-N-(1,3-oxazol-4-ylmethyl)-2-oxo-3H-benzimidazole-5-carboxamide

1-(cyclopropylmethyl)-N-(1,3-oxazol-4-ylmethyl)-2-oxo-3H-benzimidazole-5-carboxamide (PubChem CID 138026041) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-N-(1,3-oxazol-4-ylmethyl)-2-oxo-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-N-(1,3-oxazol-4-ylmethyl)-2-oxo-3H-benzimidazole-5-carboxamide
PubChem CID138026041
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC Name1-(cyclopropylmethyl)-N-(1,3-oxazol-4-ylmethyl)-2-oxo-3H-benzimidazole-5-carboxamide
SMILESO=C(NCc1cocn1)c1ccc2c(c1)[nH]c(=O)n2CC1CC1
InChIInChI=1S/C16H16N4O3/c21-15(17-6-12-8-23-9-18-12)11-3-4-14-13(5-11)19-16(22)20(14)7-10-1-2-10/h3-5,8-10H,1-2,6-7H2,(H,17,21)(H,19,22)
InChIKeySOMRWZFHSXWVHQ-UHFFFAOYSA-N
XLogP1.66
TPSA92.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(cyclohexylmethyl)-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide
CID 166630330
1-(cyclopropylmethyl)-N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-2-oxo-3H-benzimidazole-5-carboxamide
CID 167928323
3-(cyclopropylmethyl)-1H-benzimidazol-2-one
CID 57436030
4-methoxy-N-(1,3-oxazol-4-ylmethyl)benzamide
CID 110718902
1-(2-ethoxyethyl)-N-ethyl-2-oxo-3H-benzimidazole-5-carboxamide
CID 70775195
1-cyclohexyl-3-(cyclopropylmethyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxobenzimidazole-5-carboxamide
CID 70781008
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(2-ethoxyethyl)-2-oxo-3H-benzimidazole-5-carboxamide
CID 70759845
3-(oxan-4-ylmethyl)-2-oxo-1H-benzimidazole-5-carboxylic acid
CID 82784396
1-cyclohexyl-N-[(3-fluorophenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide
CID 6489617
1-(2-ethoxyethyl)-N-[(2-methylphenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide
CID 70764381
4-[(5-fluoro-2-oxo-3H-benzimidazol-1-yl)methyl]piperidine-1-carboxylic acid
CID 172832405
N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-1-(2-ethoxyethyl)-2-oxo-3H-benzimidazole-5-carboxamide
CID 70726471

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-N-(1,3-oxazol-4-ylmethyl)-2-oxo-3H-benzimidazole-5-carboxamide?
The IUPAC name of 1-(cyclopropylmethyl)-N-(1,3-oxazol-4-ylmethyl)-2-oxo-3H-benzimidazole-5-carboxamide (CID 138026041) is 1-(cyclopropylmethyl)-N-(1,3-oxazol-4-ylmethyl)-2-oxo-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 1-(cyclopropylmethyl)-N-(1,3-oxazol-4-ylmethyl)-2-oxo-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 1-(cyclopropylmethyl)-N-(1,3-oxazol-4-ylmethyl)-2-oxo-3H-benzimidazole-5-carboxamide is O=C(NCc1cocn1)c1ccc2c(c1)[nH]c(=O)n2CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-N-(1,3-oxazol-4-ylmethyl)-2-oxo-3H-benzimidazole-5-carboxamide?
The InChIKey is SOMRWZFHSXWVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3/c21-15(17-6-12-8-23-9-18-12)11-3-4-14-13(5-11)19-16(22)20(14)7-10-1-2-10/h3-5,8-10H,1-2,6-7H2,(H,17,21)(H,19,22).
What are the key properties of 1-(cyclopropylmethyl)-N-(1,3-oxazol-4-ylmethyl)-2-oxo-3H-benzimidazole-5-carboxamide?
1-(cyclopropylmethyl)-N-(1,3-oxazol-4-ylmethyl)-2-oxo-3H-benzimidazole-5-carboxamide has a molecular weight of 312.33 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-N-(1,3-oxazol-4-ylmethyl)-2-oxo-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 138026041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).