1-(4-hydroxycyclohexyl)-N-(2-morpholin-4-ylethyl)-2-oxo-3H-benzimidazole-5-carboxamide

C20H28N4O4 — CID 70771286

IUPAC1-(4-hydroxycyclohexyl)-N-(2-morpholin-4-ylethyl)-2-oxo-3H-benzimidazole-5-carboxamide
SMILESO=C(NCCN1CCOCC1)c1ccc2c(c1)[nH]c(=O)n2C1CCC(O)CC1
InChIInChI=1S/C20H28N4O4/c25-16-4-2-15(3-5-16)24-18-6-1-14(13-17(18)22-20(24)27)19(26)21-7-8-23-9-11-28-12-10-23/h1,6,13,15-16,25H,2-5,7-12H2,(H,21,26)(H,22,27)
InChIKeyZMHGHWPCMMIMQZ-UHFFFAOYSA-N
MW388.47 g/mol
LogP0.87
Rot. Bonds5

About 1-(4-hydroxycyclohexyl)-N-(2-morpholin-4-ylethyl)-2-oxo-3H-benzimidazole-5-carboxamide

1-(4-hydroxycyclohexyl)-N-(2-morpholin-4-ylethyl)-2-oxo-3H-benzimidazole-5-carboxamide (PubChem CID 70771286) has the molecular formula C20H28N4O4 and a molecular weight of 388.47 g/mol. Its IUPAC name is 1-(4-hydroxycyclohexyl)-N-(2-morpholin-4-ylethyl)-2-oxo-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-(4-hydroxycyclohexyl)-N-(2-morpholin-4-ylethyl)-2-oxo-3H-benzimidazole-5-carboxamide
PubChem CID70771286
Molecular FormulaC20H28N4O4
Molecular Weight388.47 g/mol
Exact Mass388.21
IUPAC Name1-(4-hydroxycyclohexyl)-N-(2-morpholin-4-ylethyl)-2-oxo-3H-benzimidazole-5-carboxamide
SMILESO=C(NCCN1CCOCC1)c1ccc2c(c1)[nH]c(=O)n2C1CCC(O)CC1
InChIInChI=1S/C20H28N4O4/c25-16-4-2-15(3-5-16)24-18-6-1-14(13-17(18)22-20(24)27)19(26)21-7-8-23-9-11-28-12-10-23/h1,6,13,15-16,25H,2-5,7-12H2,(H,21,26)(H,22,27)
InChIKeyZMHGHWPCMMIMQZ-UHFFFAOYSA-N
XLogP0.87
TPSA99.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-hydroxycyclohexyl)-2-oxo-N-(2-pyrrolidin-1-ylethyl)-3H-benzimidazole-5-carboxamide
CID 70780487
1-cyclopentyl-2-oxo-N-(2-piperazin-1-ylethyl)-3H-benzimidazole-5-carboxamide;hydrochloride
CID 119448652
4-fluoro-N-[2-[4-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide
CID 44573689
4-chloro-N-[2-[4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide
CID 53470220
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-(4-hydroxycyclohexyl)-2-oxo-3H-benzimidazole-5-carboxamide
CID 70728301
1-cyclopentyl-2-oxo-N-(3-piperazin-1-ylpropyl)-3H-benzimidazole-5-carboxamide
CID 119394046
3,4-dichloro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide
CID 25105699
1-(4-hydroxycyclohexyl)-2-oxo-N-(3-pyridin-2-ylpropyl)-3H-benzimidazole-5-carboxamide
CID 119060915
N-(2-morpholin-4-ylethyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 23474561
N-(2-morpholin-4-ylethyl)-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide
CID 22109781
N-(2-morpholin-4-ylethyl)-6-oxo-5H-phenanthridine-3-carboxamide
CID 10132635
6-(2-morpholin-4-ylethylcarbamoyl)-1H-indole-2-carboxylic acid
CID 19608777

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxycyclohexyl)-N-(2-morpholin-4-ylethyl)-2-oxo-3H-benzimidazole-5-carboxamide?
The IUPAC name of 1-(4-hydroxycyclohexyl)-N-(2-morpholin-4-ylethyl)-2-oxo-3H-benzimidazole-5-carboxamide (CID 70771286) is 1-(4-hydroxycyclohexyl)-N-(2-morpholin-4-ylethyl)-2-oxo-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 1-(4-hydroxycyclohexyl)-N-(2-morpholin-4-ylethyl)-2-oxo-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 1-(4-hydroxycyclohexyl)-N-(2-morpholin-4-ylethyl)-2-oxo-3H-benzimidazole-5-carboxamide is O=C(NCCN1CCOCC1)c1ccc2c(c1)[nH]c(=O)n2C1CCC(O)CC1.
What is the InChIKey of 1-(4-hydroxycyclohexyl)-N-(2-morpholin-4-ylethyl)-2-oxo-3H-benzimidazole-5-carboxamide?
The InChIKey is ZMHGHWPCMMIMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O4/c25-16-4-2-15(3-5-16)24-18-6-1-14(13-17(18)22-20(24)27)19(26)21-7-8-23-9-11-28-12-10-23/h1,6,13,15-16,25H,2-5,7-12H2,(H,21,26)(H,22,27).
What are the key properties of 1-(4-hydroxycyclohexyl)-N-(2-morpholin-4-ylethyl)-2-oxo-3H-benzimidazole-5-carboxamide?
1-(4-hydroxycyclohexyl)-N-(2-morpholin-4-ylethyl)-2-oxo-3H-benzimidazole-5-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 0.87, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxycyclohexyl)-N-(2-morpholin-4-ylethyl)-2-oxo-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 70771286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).