1-[[4-(1H-benzimidazol-2-yl)cyclohexyl]methyl]-3-(1,3-dimethylpyrazol-4-yl)urea

C20H26N6O — CID 72904600

IUPAC1-[[4-(1H-benzimidazol-2-yl)cyclohexyl]methyl]-3-(1,3-dimethylpyrazol-4-yl)urea
SMILESCc1nn(C)cc1NC(=O)NCC1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C20H26N6O/c1-13-18(12-26(2)25-13)24-20(27)21-11-14-7-9-15(10-8-14)19-22-16-5-3-4-6-17(16)23-19/h3-6,12,14-15H,7-11H2,1-2H3,(H,22,23)(H2,21,24,27)
InChIKeySLGZMGNYWFNLSQ-UHFFFAOYSA-N
MW366.47 g/mol
LogP3.70
Rot. Bonds4

About 1-[[4-(1H-benzimidazol-2-yl)cyclohexyl]methyl]-3-(1,3-dimethylpyrazol-4-yl)urea

1-[[4-(1H-benzimidazol-2-yl)cyclohexyl]methyl]-3-(1,3-dimethylpyrazol-4-yl)urea (PubChem CID 72904600) has the molecular formula C20H26N6O and a molecular weight of 366.47 g/mol. Its IUPAC name is 1-[[4-(1H-benzimidazol-2-yl)cyclohexyl]methyl]-3-(1,3-dimethylpyrazol-4-yl)urea.

Molecular Properties

Compound Name1-[[4-(1H-benzimidazol-2-yl)cyclohexyl]methyl]-3-(1,3-dimethylpyrazol-4-yl)urea
PubChem CID72904600
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC Name1-[[4-(1H-benzimidazol-2-yl)cyclohexyl]methyl]-3-(1,3-dimethylpyrazol-4-yl)urea
SMILESCc1nn(C)cc1NC(=O)NCC1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C20H26N6O/c1-13-18(12-26(2)25-13)24-20(27)21-11-14-7-9-15(10-8-14)19-22-16-5-3-4-6-17(16)23-19/h3-6,12,14-15H,7-11H2,1-2H3,(H,22,23)(H2,21,24,27)
InChIKeySLGZMGNYWFNLSQ-UHFFFAOYSA-N
XLogP3.70
TPSA87.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(1,3-dimethylpyrazol-4-yl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 102806619
N-[[4-(1H-benzimidazol-2-yl)cyclohexyl]methyl]-2,6-dimethylpyrimidine-4-carboxamide
CID 131949570
N-[[4-(1H-benzimidazol-2-yl)cyclohexyl]methyl]-3-methylpiperidine-3-carboxamide
CID 72863494
N-[[4-(1H-benzimidazol-2-yl)cyclohexyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 70781192
4-(1H-benzimidazol-2-yl)cyclohexane-1-carboxylic acid
CID 116985498
(2R)-2-(1H-benzimidazol-2-yl)-N-(1-ethyl-3-methylpyrazol-4-yl)piperidine-1-carboxamide
CID 97434031
methyl 3-(1H-benzimidazol-2-yl)piperidine-1-carboxylate
CID 110404102
1-[2-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione
CID 77097531
(2R)-1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(cyclopropylmethoxy)propan-1-one
CID 95585939
1-(cyclobutylmethyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]urea
CID 146129965
2-(5-amino-3-methylpyrazol-1-yl)-1-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]ethanone
CID 77097499
[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(1-methyltriazol-4-yl)methanone
CID 90505795

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(1H-benzimidazol-2-yl)cyclohexyl]methyl]-3-(1,3-dimethylpyrazol-4-yl)urea?
The IUPAC name of 1-[[4-(1H-benzimidazol-2-yl)cyclohexyl]methyl]-3-(1,3-dimethylpyrazol-4-yl)urea (CID 72904600) is 1-[[4-(1H-benzimidazol-2-yl)cyclohexyl]methyl]-3-(1,3-dimethylpyrazol-4-yl)urea.
What is the SMILES notation for 1-[[4-(1H-benzimidazol-2-yl)cyclohexyl]methyl]-3-(1,3-dimethylpyrazol-4-yl)urea?
The canonical SMILES for 1-[[4-(1H-benzimidazol-2-yl)cyclohexyl]methyl]-3-(1,3-dimethylpyrazol-4-yl)urea is Cc1nn(C)cc1NC(=O)NCC1CCC(c2nc3ccccc3[nH]2)CC1.
What is the InChIKey of 1-[[4-(1H-benzimidazol-2-yl)cyclohexyl]methyl]-3-(1,3-dimethylpyrazol-4-yl)urea?
The InChIKey is SLGZMGNYWFNLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O/c1-13-18(12-26(2)25-13)24-20(27)21-11-14-7-9-15(10-8-14)19-22-16-5-3-4-6-17(16)23-19/h3-6,12,14-15H,7-11H2,1-2H3,(H,22,23)(H2,21,24,27).
What are the key properties of 1-[[4-(1H-benzimidazol-2-yl)cyclohexyl]methyl]-3-(1,3-dimethylpyrazol-4-yl)urea?
1-[[4-(1H-benzimidazol-2-yl)cyclohexyl]methyl]-3-(1,3-dimethylpyrazol-4-yl)urea has a molecular weight of 366.47 g/mol, XLogP of 3.70, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(1H-benzimidazol-2-yl)cyclohexyl]methyl]-3-(1,3-dimethylpyrazol-4-yl)urea is sourced from PubChem (CID 72904600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).