1-cyclopropyl-2-oxo-N-propan-2-yl-N-(pyridin-3-ylmethyl)-3H-benzimidazole-5-carboxamide

C20H22N4O2 — CID 126837543

IUPAC1-cyclopropyl-2-oxo-N-propan-2-yl-N-(pyridin-3-ylmethyl)-3H-benzimidazole-5-carboxamide
SMILESCC(C)N(Cc1cccnc1)C(=O)c1ccc2c(c1)[nH]c(=O)n2C1CC1
InChIInChI=1S/C20H22N4O2/c1-13(2)23(12-14-4-3-9-21-11-14)19(25)15-5-8-18-17(10-15)22-20(26)24(18)16-6-7-16/h3-5,8-11,13,16H,6-7,12H2,1-2H3,(H,22,26)
InChIKeyTTYMVOAYNYHAFD-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.11
Rot. Bonds5

About 1-cyclopropyl-2-oxo-N-propan-2-yl-N-(pyridin-3-ylmethyl)-3H-benzimidazole-5-carboxamide

1-cyclopropyl-2-oxo-N-propan-2-yl-N-(pyridin-3-ylmethyl)-3H-benzimidazole-5-carboxamide (PubChem CID 126837543) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 1-cyclopropyl-2-oxo-N-propan-2-yl-N-(pyridin-3-ylmethyl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-2-oxo-N-propan-2-yl-N-(pyridin-3-ylmethyl)-3H-benzimidazole-5-carboxamide
PubChem CID126837543
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name1-cyclopropyl-2-oxo-N-propan-2-yl-N-(pyridin-3-ylmethyl)-3H-benzimidazole-5-carboxamide
SMILESCC(C)N(Cc1cccnc1)C(=O)c1ccc2c(c1)[nH]c(=O)n2C1CC1
InChIInChI=1S/C20H22N4O2/c1-13(2)23(12-14-4-3-9-21-11-14)19(25)15-5-8-18-17(10-15)22-20(26)24(18)16-6-7-16/h3-5,8-11,13,16H,6-7,12H2,1-2H3,(H,22,26)
InChIKeyTTYMVOAYNYHAFD-UHFFFAOYSA-N
XLogP3.11
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(chloromethyl)-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 60948704
3-iodo-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 55820021
3,5-diamino-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 61116038
3-phenoxy-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 60557001
1-cyclopentyl-N-(cyclopropylmethyl)-N-methyl-2-oxo-3H-benzimidazole-5-carboxamide
CID 71880640
3-cyclopropyl-6-[2-(methylamino)acetyl]-1H-benzimidazol-2-one
CID 117365069
N-propan-2-yl-3-(propan-2-ylcarbamoylamino)-N-(pyridin-3-ylmethyl)benzamide
CID 51123762
6-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide
CID 166476038
1-cyclopropyl-2-oxo-N-(2-oxo-1-pyridin-3-ylpiperidin-3-yl)-3H-benzimidazole-5-carboxamide
CID 126820989
N-propan-2-yl-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 61215927
1-(4-hydroxycyclohexyl)-N-methyl-2-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 70752306
3-(ethylsulfamoyl)-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 55818997

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-oxo-N-propan-2-yl-N-(pyridin-3-ylmethyl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of 1-cyclopropyl-2-oxo-N-propan-2-yl-N-(pyridin-3-ylmethyl)-3H-benzimidazole-5-carboxamide (CID 126837543) is 1-cyclopropyl-2-oxo-N-propan-2-yl-N-(pyridin-3-ylmethyl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 1-cyclopropyl-2-oxo-N-propan-2-yl-N-(pyridin-3-ylmethyl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 1-cyclopropyl-2-oxo-N-propan-2-yl-N-(pyridin-3-ylmethyl)-3H-benzimidazole-5-carboxamide is CC(C)N(Cc1cccnc1)C(=O)c1ccc2c(c1)[nH]c(=O)n2C1CC1.
What is the InChIKey of 1-cyclopropyl-2-oxo-N-propan-2-yl-N-(pyridin-3-ylmethyl)-3H-benzimidazole-5-carboxamide?
The InChIKey is TTYMVOAYNYHAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-13(2)23(12-14-4-3-9-21-11-14)19(25)15-5-8-18-17(10-15)22-20(26)24(18)16-6-7-16/h3-5,8-11,13,16H,6-7,12H2,1-2H3,(H,22,26).
What are the key properties of 1-cyclopropyl-2-oxo-N-propan-2-yl-N-(pyridin-3-ylmethyl)-3H-benzimidazole-5-carboxamide?
1-cyclopropyl-2-oxo-N-propan-2-yl-N-(pyridin-3-ylmethyl)-3H-benzimidazole-5-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-oxo-N-propan-2-yl-N-(pyridin-3-ylmethyl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 126837543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).