1-[(1-hydroxycyclohexyl)methyl]-3-[(1S)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]urea

C18H26N4O2 — CID 126449238

IUPAC1-[(1-hydroxycyclohexyl)methyl]-3-[(1S)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]urea
SMILESCc1ccc2nc([C@H](C)NC(=O)NCC3(O)CCCCC3)[nH]c2c1
InChIInChI=1S/C18H26N4O2/c1-12-6-7-14-15(10-12)22-16(21-14)13(2)20-17(23)19-11-18(24)8-4-3-5-9-18/h6-7,10,13,24H,3-5,8-9,11H2,1-2H3,(H,21,22)(H2,19,20,23)/t13-/m0/s1
InChIKeyLNJAEOSDTWYSNQ-ZDUSSCGKSA-N
MW330.43 g/mol
LogP2.93
Rot. Bonds4

About 1-[(1-hydroxycyclohexyl)methyl]-3-[(1S)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]urea

1-[(1-hydroxycyclohexyl)methyl]-3-[(1S)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]urea (PubChem CID 126449238) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-[(1-hydroxycyclohexyl)methyl]-3-[(1S)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-[(1-hydroxycyclohexyl)methyl]-3-[(1S)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]urea
PubChem CID126449238
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name1-[(1-hydroxycyclohexyl)methyl]-3-[(1S)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]urea
SMILESCc1ccc2nc([C@H](C)NC(=O)NCC3(O)CCCCC3)[nH]c2c1
InChIInChI=1S/C18H26N4O2/c1-12-6-7-14-15(10-12)22-16(21-14)13(2)20-17(23)19-11-18(24)8-4-3-5-9-18/h6-7,10,13,24H,3-5,8-9,11H2,1-2H3,(H,21,22)(H2,19,20,23)/t13-/m0/s1
InChIKeyLNJAEOSDTWYSNQ-ZDUSSCGKSA-N
XLogP2.93
TPSA90.04 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 1-[(1-hydroxycyclohexyl)methyl]-3-[(1S)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]urea with MolForge

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Related Compounds

1-[1-(1H-benzimidazol-2-yl)ethylcarbamoylamino]cycloheptane-1-carboxamide
CID 119060351
1-N'-[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]cyclopropane-1,1-dicarboxamide
CID 86284531
tert-butyl N-[1-(6-methyl-1H-benzimidazol-2-yl)ethyl]carbamate
CID 69315401
1-[(1-hydroxycyclohexyl)methyl]-3-(1-phenylethyl)urea
CID 110936427
1-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]cyclohexan-1-ol
CID 65214051
2-fluoro-N-[(1R)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]benzamide
CID 1474151
2,4-dichloro-N-[(1R)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]benzamide
CID 1474183
3-methyl-N-[1-(6-methyl-1H-benzimidazol-2-yl)ethyl]-4-(pyrrolidine-1-carbonyl)benzamide
CID 59655268
methanol;(1S)-1-(6-methyl-1H-benzimidazol-2-yl)ethanamine
CID 143560224
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(1-hydroxycyclohexyl)acetamide
CID 111331862
1-cyclohexyl-N-[(1S)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]triazole-4-carboxamide
CID 42513114
1-[1-(2,4-difluorophenyl)ethyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 110936421

Frequently Asked Questions

What is the IUPAC name of 1-[(1-hydroxycyclohexyl)methyl]-3-[(1S)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]urea?
The IUPAC name of 1-[(1-hydroxycyclohexyl)methyl]-3-[(1S)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]urea (CID 126449238) is 1-[(1-hydroxycyclohexyl)methyl]-3-[(1S)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]urea.
What is the SMILES notation for 1-[(1-hydroxycyclohexyl)methyl]-3-[(1S)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]urea?
The canonical SMILES for 1-[(1-hydroxycyclohexyl)methyl]-3-[(1S)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]urea is Cc1ccc2nc([C@H](C)NC(=O)NCC3(O)CCCCC3)[nH]c2c1.
What is the InChIKey of 1-[(1-hydroxycyclohexyl)methyl]-3-[(1S)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]urea?
The InChIKey is LNJAEOSDTWYSNQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-12-6-7-14-15(10-12)22-16(21-14)13(2)20-17(23)19-11-18(24)8-4-3-5-9-18/h6-7,10,13,24H,3-5,8-9,11H2,1-2H3,(H,21,22)(H2,19,20,23)/t13-/m0/s1.
What are the key properties of 1-[(1-hydroxycyclohexyl)methyl]-3-[(1S)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]urea?
1-[(1-hydroxycyclohexyl)methyl]-3-[(1S)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]urea has a molecular weight of 330.43 g/mol, XLogP of 2.93, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-hydroxycyclohexyl)methyl]-3-[(1S)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]urea is sourced from PubChem (CID 126449238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).