N-(3-amino-3-oxopropyl)-1-cyclohexyl-3-(cyclopropylmethyl)-N-methyl-2-oxobenzimidazole-5-carboxamide

C22H30N4O3 — CID 70711167

IUPACN-(3-amino-3-oxopropyl)-1-cyclohexyl-3-(cyclopropylmethyl)-N-methyl-2-oxobenzimidazole-5-carboxamide
SMILESCN(CCC(N)=O)C(=O)c1ccc2c(c1)n(CC1CC1)c(=O)n2C1CCCCC1
InChIInChI=1S/C22H30N4O3/c1-24(12-11-20(23)27)21(28)16-9-10-18-19(13-16)25(14-15-7-8-15)22(29)26(18)17-5-3-2-4-6-17/h9-10,13,15,17H,2-8,11-12,14H2,1H3,(H2,23,27)
InChIKeyZKPJVFDRCSDRSE-UHFFFAOYSA-N
MW398.51 g/mol
LogP2.67
Rot. Bonds7

About N-(3-amino-3-oxopropyl)-1-cyclohexyl-3-(cyclopropylmethyl)-N-methyl-2-oxobenzimidazole-5-carboxamide

N-(3-amino-3-oxopropyl)-1-cyclohexyl-3-(cyclopropylmethyl)-N-methyl-2-oxobenzimidazole-5-carboxamide (PubChem CID 70711167) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-(3-amino-3-oxopropyl)-1-cyclohexyl-3-(cyclopropylmethyl)-N-methyl-2-oxobenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-oxopropyl)-1-cyclohexyl-3-(cyclopropylmethyl)-N-methyl-2-oxobenzimidazole-5-carboxamide
PubChem CID70711167
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC NameN-(3-amino-3-oxopropyl)-1-cyclohexyl-3-(cyclopropylmethyl)-N-methyl-2-oxobenzimidazole-5-carboxamide
SMILESCN(CCC(N)=O)C(=O)c1ccc2c(c1)n(CC1CC1)c(=O)n2C1CCCCC1
InChIInChI=1S/C22H30N4O3/c1-24(12-11-20(23)27)21(28)16-9-10-18-19(13-16)25(14-15-7-8-15)22(29)26(18)17-5-3-2-4-6-17/h9-10,13,15,17H,2-8,11-12,14H2,1H3,(H2,23,27)
InChIKeyZKPJVFDRCSDRSE-UHFFFAOYSA-N
XLogP2.67
TPSA90.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxopropyl)-1-cyclohexyl-3-(cyclopropylmethyl)-N-methyl-2-oxobenzimidazole-5-carboxamide?
The IUPAC name of N-(3-amino-3-oxopropyl)-1-cyclohexyl-3-(cyclopropylmethyl)-N-methyl-2-oxobenzimidazole-5-carboxamide (CID 70711167) is N-(3-amino-3-oxopropyl)-1-cyclohexyl-3-(cyclopropylmethyl)-N-methyl-2-oxobenzimidazole-5-carboxamide.
What is the SMILES notation for N-(3-amino-3-oxopropyl)-1-cyclohexyl-3-(cyclopropylmethyl)-N-methyl-2-oxobenzimidazole-5-carboxamide?
The canonical SMILES for N-(3-amino-3-oxopropyl)-1-cyclohexyl-3-(cyclopropylmethyl)-N-methyl-2-oxobenzimidazole-5-carboxamide is CN(CCC(N)=O)C(=O)c1ccc2c(c1)n(CC1CC1)c(=O)n2C1CCCCC1.
What is the InChIKey of N-(3-amino-3-oxopropyl)-1-cyclohexyl-3-(cyclopropylmethyl)-N-methyl-2-oxobenzimidazole-5-carboxamide?
The InChIKey is ZKPJVFDRCSDRSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3/c1-24(12-11-20(23)27)21(28)16-9-10-18-19(13-16)25(14-15-7-8-15)22(29)26(18)17-5-3-2-4-6-17/h9-10,13,15,17H,2-8,11-12,14H2,1H3,(H2,23,27).
What are the key properties of N-(3-amino-3-oxopropyl)-1-cyclohexyl-3-(cyclopropylmethyl)-N-methyl-2-oxobenzimidazole-5-carboxamide?
N-(3-amino-3-oxopropyl)-1-cyclohexyl-3-(cyclopropylmethyl)-N-methyl-2-oxobenzimidazole-5-carboxamide has a molecular weight of 398.51 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-oxopropyl)-1-cyclohexyl-3-(cyclopropylmethyl)-N-methyl-2-oxobenzimidazole-5-carboxamide is sourced from PubChem (CID 70711167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).