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

C21H28N4O3 — CID 70783918

IUPACN-(3-amino-3-oxopropyl)-1-cyclohexyl-3-(cyclopropylmethyl)-2-oxobenzimidazole-5-carboxamide
SMILESNC(=O)CCNC(=O)c1ccc2c(c1)n(CC1CC1)c(=O)n2C1CCCCC1
InChIInChI=1S/C21H28N4O3/c22-19(26)10-11-23-20(27)15-8-9-17-18(12-15)24(13-14-6-7-14)21(28)25(17)16-4-2-1-3-5-16/h8-9,12,14,16H,1-7,10-11,13H2,(H2,22,26)(H,23,27)
InChIKeyAKNMTXWDYQTNHZ-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.32
Rot. Bonds7

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

N-(3-amino-3-oxopropyl)-1-cyclohexyl-3-(cyclopropylmethyl)-2-oxobenzimidazole-5-carboxamide (PubChem CID 70783918) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-(3-amino-3-oxopropyl)-1-cyclohexyl-3-(cyclopropylmethyl)-2-oxobenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-oxopropyl)-1-cyclohexyl-3-(cyclopropylmethyl)-2-oxobenzimidazole-5-carboxamide
PubChem CID70783918
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC NameN-(3-amino-3-oxopropyl)-1-cyclohexyl-3-(cyclopropylmethyl)-2-oxobenzimidazole-5-carboxamide
SMILESNC(=O)CCNC(=O)c1ccc2c(c1)n(CC1CC1)c(=O)n2C1CCCCC1
InChIInChI=1S/C21H28N4O3/c22-19(26)10-11-23-20(27)15-8-9-17-18(12-15)24(13-14-6-7-14)21(28)25(17)16-4-2-1-3-5-16/h8-9,12,14,16H,1-7,10-11,13H2,(H2,22,26)(H,23,27)
InChIKeyAKNMTXWDYQTNHZ-UHFFFAOYSA-N
XLogP2.32
TPSA99.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.32
H-Bond Donors ≤ 52
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)-2-oxobenzimidazole-5-carboxamide?
The IUPAC name of N-(3-amino-3-oxopropyl)-1-cyclohexyl-3-(cyclopropylmethyl)-2-oxobenzimidazole-5-carboxamide (CID 70783918) is N-(3-amino-3-oxopropyl)-1-cyclohexyl-3-(cyclopropylmethyl)-2-oxobenzimidazole-5-carboxamide.
What is the SMILES notation for N-(3-amino-3-oxopropyl)-1-cyclohexyl-3-(cyclopropylmethyl)-2-oxobenzimidazole-5-carboxamide?
The canonical SMILES for N-(3-amino-3-oxopropyl)-1-cyclohexyl-3-(cyclopropylmethyl)-2-oxobenzimidazole-5-carboxamide is NC(=O)CCNC(=O)c1ccc2c(c1)n(CC1CC1)c(=O)n2C1CCCCC1.
What is the InChIKey of N-(3-amino-3-oxopropyl)-1-cyclohexyl-3-(cyclopropylmethyl)-2-oxobenzimidazole-5-carboxamide?
The InChIKey is AKNMTXWDYQTNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c22-19(26)10-11-23-20(27)15-8-9-17-18(12-15)24(13-14-6-7-14)21(28)25(17)16-4-2-1-3-5-16/h8-9,12,14,16H,1-7,10-11,13H2,(H2,22,26)(H,23,27).
What are the key properties of N-(3-amino-3-oxopropyl)-1-cyclohexyl-3-(cyclopropylmethyl)-2-oxobenzimidazole-5-carboxamide?
N-(3-amino-3-oxopropyl)-1-cyclohexyl-3-(cyclopropylmethyl)-2-oxobenzimidazole-5-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 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)-2-oxobenzimidazole-5-carboxamide is sourced from PubChem (CID 70783918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).