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

C22H30N4O3 — CID 70715939

IUPAC1-cyclohexyl-3-(cyclopropylmethyl)-N-[2-(dimethylamino)-2-oxoethyl]-2-oxobenzimidazole-5-carboxamide
SMILESCN(C)C(=O)CNC(=O)c1ccc2c(c1)n(CC1CC1)c(=O)n2C1CCCCC1
InChIInChI=1S/C22H30N4O3/c1-24(2)20(27)13-23-21(28)16-10-11-18-19(12-16)25(14-15-8-9-15)22(29)26(18)17-6-4-3-5-7-17/h10-12,15,17H,3-9,13-14H2,1-2H3,(H,23,28)
InChIKeyHQBWRNKKMJAFKD-UHFFFAOYSA-N
MW398.51 g/mol
LogP2.54
Rot. Bonds6

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

1-cyclohexyl-3-(cyclopropylmethyl)-N-[2-(dimethylamino)-2-oxoethyl]-2-oxobenzimidazole-5-carboxamide (PubChem CID 70715939) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is 1-cyclohexyl-3-(cyclopropylmethyl)-N-[2-(dimethylamino)-2-oxoethyl]-2-oxobenzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-3-(cyclopropylmethyl)-N-[2-(dimethylamino)-2-oxoethyl]-2-oxobenzimidazole-5-carboxamide
PubChem CID70715939
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC Name1-cyclohexyl-3-(cyclopropylmethyl)-N-[2-(dimethylamino)-2-oxoethyl]-2-oxobenzimidazole-5-carboxamide
SMILESCN(C)C(=O)CNC(=O)c1ccc2c(c1)n(CC1CC1)c(=O)n2C1CCCCC1
InChIInChI=1S/C22H30N4O3/c1-24(2)20(27)13-23-21(28)16-10-11-18-19(12-16)25(14-15-8-9-15)22(29)26(18)17-6-4-3-5-7-17/h10-12,15,17H,3-9,13-14H2,1-2H3,(H,23,28)
InChIKeyHQBWRNKKMJAFKD-UHFFFAOYSA-N
XLogP2.54
TPSA76.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(cyclopropylmethyl)-N-[2-(dimethylamino)-2-oxoethyl]-2-oxobenzimidazole-5-carboxamide?
The IUPAC name of 1-cyclohexyl-3-(cyclopropylmethyl)-N-[2-(dimethylamino)-2-oxoethyl]-2-oxobenzimidazole-5-carboxamide (CID 70715939) is 1-cyclohexyl-3-(cyclopropylmethyl)-N-[2-(dimethylamino)-2-oxoethyl]-2-oxobenzimidazole-5-carboxamide.
What is the SMILES notation for 1-cyclohexyl-3-(cyclopropylmethyl)-N-[2-(dimethylamino)-2-oxoethyl]-2-oxobenzimidazole-5-carboxamide?
The canonical SMILES for 1-cyclohexyl-3-(cyclopropylmethyl)-N-[2-(dimethylamino)-2-oxoethyl]-2-oxobenzimidazole-5-carboxamide is CN(C)C(=O)CNC(=O)c1ccc2c(c1)n(CC1CC1)c(=O)n2C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(cyclopropylmethyl)-N-[2-(dimethylamino)-2-oxoethyl]-2-oxobenzimidazole-5-carboxamide?
The InChIKey is HQBWRNKKMJAFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3/c1-24(2)20(27)13-23-21(28)16-10-11-18-19(12-16)25(14-15-8-9-15)22(29)26(18)17-6-4-3-5-7-17/h10-12,15,17H,3-9,13-14H2,1-2H3,(H,23,28).
What are the key properties of 1-cyclohexyl-3-(cyclopropylmethyl)-N-[2-(dimethylamino)-2-oxoethyl]-2-oxobenzimidazole-5-carboxamide?
1-cyclohexyl-3-(cyclopropylmethyl)-N-[2-(dimethylamino)-2-oxoethyl]-2-oxobenzimidazole-5-carboxamide has a molecular weight of 398.51 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(cyclopropylmethyl)-N-[2-(dimethylamino)-2-oxoethyl]-2-oxobenzimidazole-5-carboxamide is sourced from PubChem (CID 70715939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).