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

C22H29N5O3 — CID 70752306

IUPAC1-(4-hydroxycyclohexyl)-N-methyl-2-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-3H-benzimidazole-5-carboxamide
SMILESCc1nn(C)c(C)c1CN(C)C(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCC(O)CC1
InChIInChI=1S/C22H29N5O3/c1-13-18(14(2)26(4)24-13)12-25(3)21(29)15-5-10-20-19(11-15)23-22(30)27(20)16-6-8-17(28)9-7-16/h5,10-11,16-17,28H,6-9,12H2,1-4H3,(H,23,30)
InChIKeyKUXHWIPTIUNEEX-UHFFFAOYSA-N
MW411.51 g/mol
LogP2.43
Rot. Bonds4

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

1-(4-hydroxycyclohexyl)-N-methyl-2-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-3H-benzimidazole-5-carboxamide (PubChem CID 70752306) has the molecular formula C22H29N5O3 and a molecular weight of 411.51 g/mol. Its IUPAC name is 1-(4-hydroxycyclohexyl)-N-methyl-2-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-(4-hydroxycyclohexyl)-N-methyl-2-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-3H-benzimidazole-5-carboxamide
PubChem CID70752306
Molecular FormulaC22H29N5O3
Molecular Weight411.51 g/mol
Exact Mass411.23
IUPAC Name1-(4-hydroxycyclohexyl)-N-methyl-2-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-3H-benzimidazole-5-carboxamide
SMILESCc1nn(C)c(C)c1CN(C)C(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCC(O)CC1
InChIInChI=1S/C22H29N5O3/c1-13-18(14(2)26(4)24-13)12-25(3)21(29)15-5-10-20-19(11-15)23-22(30)27(20)16-6-8-17(28)9-7-16/h5,10-11,16-17,28H,6-9,12H2,1-4H3,(H,23,30)
InChIKeyKUXHWIPTIUNEEX-UHFFFAOYSA-N
XLogP2.43
TPSA96.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(4-hydroxycyclohexyl)-N-methyl-2-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-3H-benzimidazole-5-carboxamide with MolForge

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Related Compounds

1-(4-hydroxycyclohexyl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide
CID 70771618
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
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-(4-hydroxycyclohexyl)-2-oxo-3H-benzimidazole-5-carboxamide
CID 70728301
1-(4-hydroxycyclohexyl)-2-oxo-N-(2-pyrrolidin-1-ylethyl)-3H-benzimidazole-5-carboxamide
CID 70780487
3-cyclopropyl-6-[2-(methylamino)acetyl]-1H-benzimidazol-2-one
CID 117365069
N-(3-amino-4-methylpentyl)-1-cyclopentyl-N-methyl-2-oxo-3H-benzimidazole-5-carboxamide
CID 119660783
1-cyclopropyl-2-oxo-N-propan-2-yl-N-(pyridin-3-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 126837543
methyl 1-cyclopropyl-2-oxo-3H-benzimidazole-5-carboxylate
CID 83415039
3-(3-hydroxy-3-methylbutyl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 70715084
N,1,3,5-tetramethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 19477956
3-(4-hydroxycyclohexyl)-6-(4-phenylpiperidine-1-carbonyl)-1H-benzimidazol-2-one
CID 119074354

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxycyclohexyl)-N-methyl-2-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 1-(4-hydroxycyclohexyl)-N-methyl-2-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-3H-benzimidazole-5-carboxamide (CID 70752306) is 1-(4-hydroxycyclohexyl)-N-methyl-2-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 1-(4-hydroxycyclohexyl)-N-methyl-2-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 1-(4-hydroxycyclohexyl)-N-methyl-2-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-3H-benzimidazole-5-carboxamide is Cc1nn(C)c(C)c1CN(C)C(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCC(O)CC1.
What is the InChIKey of 1-(4-hydroxycyclohexyl)-N-methyl-2-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is KUXHWIPTIUNEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O3/c1-13-18(14(2)26(4)24-13)12-25(3)21(29)15-5-10-20-19(11-15)23-22(30)27(20)16-6-8-17(28)9-7-16/h5,10-11,16-17,28H,6-9,12H2,1-4H3,(H,23,30).
What are the key properties of 1-(4-hydroxycyclohexyl)-N-methyl-2-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-3H-benzimidazole-5-carboxamide?
1-(4-hydroxycyclohexyl)-N-methyl-2-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 411.51 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxycyclohexyl)-N-methyl-2-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 70752306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).