3-(cyclohexylmethyl)-N-[1-(diethylamino)propan-2-yl]-2-oxobenzimidazole-1-carboxamide

C22H34N4O2 — CID 24956628

IUPAC3-(cyclohexylmethyl)-N-[1-(diethylamino)propan-2-yl]-2-oxobenzimidazole-1-carboxamide
SMILESCCN(CC)CC(C)NC(=O)n1c(=O)n(CC2CCCCC2)c2ccccc21
InChIInChI=1S/C22H34N4O2/c1-4-24(5-2)15-17(3)23-21(27)26-20-14-10-9-13-19(20)25(22(26)28)16-18-11-7-6-8-12-18/h9-10,13-14,17-18H,4-8,11-12,15-16H2,1-3H3,(H,23,27)
InChIKeyOFHINZCTUPAMDN-UHFFFAOYSA-N
MW386.54 g/mol
LogP3.67
Rot. Bonds7

About 3-(cyclohexylmethyl)-N-[1-(diethylamino)propan-2-yl]-2-oxobenzimidazole-1-carboxamide

3-(cyclohexylmethyl)-N-[1-(diethylamino)propan-2-yl]-2-oxobenzimidazole-1-carboxamide (PubChem CID 24956628) has the molecular formula C22H34N4O2 and a molecular weight of 386.54 g/mol. Its IUPAC name is 3-(cyclohexylmethyl)-N-[1-(diethylamino)propan-2-yl]-2-oxobenzimidazole-1-carboxamide.

Molecular Properties

Compound Name3-(cyclohexylmethyl)-N-[1-(diethylamino)propan-2-yl]-2-oxobenzimidazole-1-carboxamide
PubChem CID24956628
Molecular FormulaC22H34N4O2
Molecular Weight386.54 g/mol
Exact Mass386.27
IUPAC Name3-(cyclohexylmethyl)-N-[1-(diethylamino)propan-2-yl]-2-oxobenzimidazole-1-carboxamide
SMILESCCN(CC)CC(C)NC(=O)n1c(=O)n(CC2CCCCC2)c2ccccc21
InChIInChI=1S/C22H34N4O2/c1-4-24(5-2)15-17(3)23-21(27)26-20-14-10-9-13-19(20)25(22(26)28)16-18-11-7-6-8-12-18/h9-10,13-14,17-18H,4-8,11-12,15-16H2,1-3H3,(H,23,27)
InChIKeyOFHINZCTUPAMDN-UHFFFAOYSA-N
XLogP3.67
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethyl)-N-[1-(diethylamino)propan-2-yl]-2-oxobenzimidazole-1-carboxamide?
The IUPAC name of 3-(cyclohexylmethyl)-N-[1-(diethylamino)propan-2-yl]-2-oxobenzimidazole-1-carboxamide (CID 24956628) is 3-(cyclohexylmethyl)-N-[1-(diethylamino)propan-2-yl]-2-oxobenzimidazole-1-carboxamide.
What is the SMILES notation for 3-(cyclohexylmethyl)-N-[1-(diethylamino)propan-2-yl]-2-oxobenzimidazole-1-carboxamide?
The canonical SMILES for 3-(cyclohexylmethyl)-N-[1-(diethylamino)propan-2-yl]-2-oxobenzimidazole-1-carboxamide is CCN(CC)CC(C)NC(=O)n1c(=O)n(CC2CCCCC2)c2ccccc21.
What is the InChIKey of 3-(cyclohexylmethyl)-N-[1-(diethylamino)propan-2-yl]-2-oxobenzimidazole-1-carboxamide?
The InChIKey is OFHINZCTUPAMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O2/c1-4-24(5-2)15-17(3)23-21(27)26-20-14-10-9-13-19(20)25(22(26)28)16-18-11-7-6-8-12-18/h9-10,13-14,17-18H,4-8,11-12,15-16H2,1-3H3,(H,23,27).
What are the key properties of 3-(cyclohexylmethyl)-N-[1-(diethylamino)propan-2-yl]-2-oxobenzimidazole-1-carboxamide?
3-(cyclohexylmethyl)-N-[1-(diethylamino)propan-2-yl]-2-oxobenzimidazole-1-carboxamide has a molecular weight of 386.54 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethyl)-N-[1-(diethylamino)propan-2-yl]-2-oxobenzimidazole-1-carboxamide is sourced from PubChem (CID 24956628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).