1-(4-hydroxycyclohexyl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide

C20H25N5O3 — CID 70771618

IUPAC1-(4-hydroxycyclohexyl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide
SMILESCc1cnc(CN(C)C(=O)c2ccc3c(c2)[nH]c(=O)n3C2CCC(O)CC2)[nH]1
InChIInChI=1S/C20H25N5O3/c1-12-10-21-18(22-12)11-24(2)19(27)13-3-8-17-16(9-13)23-20(28)25(17)14-4-6-15(26)7-5-14/h3,8-10,14-15,26H,4-7,11H2,1-2H3,(H,21,22)(H,23,28)
InChIKeyGNCXFJZLAWDVFZ-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.11
Rot. Bonds4

About 1-(4-hydroxycyclohexyl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide

1-(4-hydroxycyclohexyl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide (PubChem CID 70771618) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 1-(4-hydroxycyclohexyl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-(4-hydroxycyclohexyl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide
PubChem CID70771618
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Name1-(4-hydroxycyclohexyl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide
SMILESCc1cnc(CN(C)C(=O)c2ccc3c(c2)[nH]c(=O)n3C2CCC(O)CC2)[nH]1
InChIInChI=1S/C20H25N5O3/c1-12-10-21-18(22-12)11-24(2)19(27)13-3-8-17-16(9-13)23-20(28)25(17)14-4-6-15(26)7-5-14/h3,8-10,14-15,26H,4-7,11H2,1-2H3,(H,21,22)(H,23,28)
InChIKeyGNCXFJZLAWDVFZ-UHFFFAOYSA-N
XLogP2.11
TPSA107.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-hydroxycyclohexyl)-N-methyl-2-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 70752306
1-(4-hydroxycyclohexyl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-oxo-3H-benzimidazole-5-carboxamide
CID 70710905
1-cyclopentyl-N-(cyclopropylmethyl)-N-methyl-2-oxo-3H-benzimidazole-5-carboxamide
CID 71880640
1-cyclopropyl-2-oxo-N-propan-2-yl-N-(pyridin-3-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 126837543
N-(3-amino-4-methylpentyl)-1-cyclopentyl-N-methyl-2-oxo-3H-benzimidazole-5-carboxamide
CID 119660783
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-(4-hydroxycyclohexyl)-2-oxo-3H-benzimidazole-5-carboxamide
CID 70728301
N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 90649095
1-(4-hydroxycyclohexyl)-2-oxo-N-(2-pyrrolidin-1-ylethyl)-3H-benzimidazole-5-carboxamide
CID 70780487
1-(4-hydroxycyclohexyl)-2-oxo-N-(3-pyridin-2-ylpropyl)-3H-benzimidazole-5-carboxamide
CID 119060915
methyl 1-cyclopropyl-2-oxo-3H-benzimidazole-5-carboxylate
CID 83415039
3-cyclopropyl-6-[2-(methylamino)acetyl]-1H-benzimidazol-2-one
CID 117365069
3-(4-hydroxycyclohexyl)-1H-benzimidazol-2-one
CID 70115038

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxycyclohexyl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide?
The IUPAC name of 1-(4-hydroxycyclohexyl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide (CID 70771618) is 1-(4-hydroxycyclohexyl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 1-(4-hydroxycyclohexyl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 1-(4-hydroxycyclohexyl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide is Cc1cnc(CN(C)C(=O)c2ccc3c(c2)[nH]c(=O)n3C2CCC(O)CC2)[nH]1.
What is the InChIKey of 1-(4-hydroxycyclohexyl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide?
The InChIKey is GNCXFJZLAWDVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-12-10-21-18(22-12)11-24(2)19(27)13-3-8-17-16(9-13)23-20(28)25(17)14-4-6-15(26)7-5-14/h3,8-10,14-15,26H,4-7,11H2,1-2H3,(H,21,22)(H,23,28).
What are the key properties of 1-(4-hydroxycyclohexyl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide?
1-(4-hydroxycyclohexyl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 2.11, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxycyclohexyl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 70771618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).