1-cyclohexyl-3-(cyclopropylmethyl)-N-[2-(methylamino)-2-oxoethyl]-2-oxobenzimidazole-5-carboxamide

C21H28N4O3 — CID 70706156

IUPAC1-cyclohexyl-3-(cyclopropylmethyl)-N-[2-(methylamino)-2-oxoethyl]-2-oxobenzimidazole-5-carboxamide
SMILESCNC(=O)CNC(=O)c1ccc2c(c1)n(CC1CC1)c(=O)n2C1CCCCC1
InChIInChI=1S/C21H28N4O3/c1-22-19(26)12-23-20(27)15-9-10-17-18(11-15)24(13-14-7-8-14)21(28)25(17)16-5-3-2-4-6-16/h9-11,14,16H,2-8,12-13H2,1H3,(H,22,26)(H,23,27)
InChIKeyLVPMFRWEZLYLEK-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.19
Rot. Bonds6

About 1-cyclohexyl-3-(cyclopropylmethyl)-N-[2-(methylamino)-2-oxoethyl]-2-oxobenzimidazole-5-carboxamide

1-cyclohexyl-3-(cyclopropylmethyl)-N-[2-(methylamino)-2-oxoethyl]-2-oxobenzimidazole-5-carboxamide (PubChem CID 70706156) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is 1-cyclohexyl-3-(cyclopropylmethyl)-N-[2-(methylamino)-2-oxoethyl]-2-oxobenzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-3-(cyclopropylmethyl)-N-[2-(methylamino)-2-oxoethyl]-2-oxobenzimidazole-5-carboxamide
PubChem CID70706156
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC Name1-cyclohexyl-3-(cyclopropylmethyl)-N-[2-(methylamino)-2-oxoethyl]-2-oxobenzimidazole-5-carboxamide
SMILESCNC(=O)CNC(=O)c1ccc2c(c1)n(CC1CC1)c(=O)n2C1CCCCC1
InChIInChI=1S/C21H28N4O3/c1-22-19(26)12-23-20(27)15-9-10-17-18(11-15)24(13-14-7-8-14)21(28)25(17)16-5-3-2-4-6-16/h9-11,14,16H,2-8,12-13H2,1H3,(H,22,26)(H,23,27)
InChIKeyLVPMFRWEZLYLEK-UHFFFAOYSA-N
XLogP2.19
TPSA85.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(cyclopropylmethyl)-N-[2-(methylamino)-2-oxoethyl]-2-oxobenzimidazole-5-carboxamide?
The IUPAC name of 1-cyclohexyl-3-(cyclopropylmethyl)-N-[2-(methylamino)-2-oxoethyl]-2-oxobenzimidazole-5-carboxamide (CID 70706156) is 1-cyclohexyl-3-(cyclopropylmethyl)-N-[2-(methylamino)-2-oxoethyl]-2-oxobenzimidazole-5-carboxamide.
What is the SMILES notation for 1-cyclohexyl-3-(cyclopropylmethyl)-N-[2-(methylamino)-2-oxoethyl]-2-oxobenzimidazole-5-carboxamide?
The canonical SMILES for 1-cyclohexyl-3-(cyclopropylmethyl)-N-[2-(methylamino)-2-oxoethyl]-2-oxobenzimidazole-5-carboxamide is CNC(=O)CNC(=O)c1ccc2c(c1)n(CC1CC1)c(=O)n2C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(cyclopropylmethyl)-N-[2-(methylamino)-2-oxoethyl]-2-oxobenzimidazole-5-carboxamide?
The InChIKey is LVPMFRWEZLYLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-22-19(26)12-23-20(27)15-9-10-17-18(11-15)24(13-14-7-8-14)21(28)25(17)16-5-3-2-4-6-16/h9-11,14,16H,2-8,12-13H2,1H3,(H,22,26)(H,23,27).
What are the key properties of 1-cyclohexyl-3-(cyclopropylmethyl)-N-[2-(methylamino)-2-oxoethyl]-2-oxobenzimidazole-5-carboxamide?
1-cyclohexyl-3-(cyclopropylmethyl)-N-[2-(methylamino)-2-oxoethyl]-2-oxobenzimidazole-5-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(cyclopropylmethyl)-N-[2-(methylamino)-2-oxoethyl]-2-oxobenzimidazole-5-carboxamide is sourced from PubChem (CID 70706156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).