1-(1H-benzimidazol-2-yl)-3-cyclohexylurea

C14H18N4O — CID 4159955

IUPAC1-(1H-benzimidazol-2-yl)-3-cyclohexylurea
SMILESO=C(Nc1nc2ccccc2[nH]1)NC1CCCCC1
InChIInChI=1S/C14H18N4O/c19-14(15-10-6-2-1-3-7-10)18-13-16-11-8-4-5-9-12(11)17-13/h4-5,8-10H,1-3,6-7H2,(H3,15,16,17,18,19)
InChIKeyBZSIUMLEFGANJH-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.02
Rot. Bonds2

About 1-(1H-benzimidazol-2-yl)-3-cyclohexylurea

1-(1H-benzimidazol-2-yl)-3-cyclohexylurea (PubChem CID 4159955) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-(1H-benzimidazol-2-yl)-3-cyclohexylurea.

Molecular Properties

Compound Name1-(1H-benzimidazol-2-yl)-3-cyclohexylurea
PubChem CID4159955
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name1-(1H-benzimidazol-2-yl)-3-cyclohexylurea
SMILESO=C(Nc1nc2ccccc2[nH]1)NC1CCCCC1
InChIInChI=1S/C14H18N4O/c19-14(15-10-6-2-1-3-7-10)18-13-16-11-8-4-5-9-12(11)17-13/h4-5,8-10H,1-3,6-7H2,(H3,15,16,17,18,19)
InChIKeyBZSIUMLEFGANJH-UHFFFAOYSA-N
XLogP3.02
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 79140104
N-(1H-benzimidazol-2-yl)-3-cyclopentylpropanamide
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N-(1H-benzimidazol-2-yl)-4-hydroxycyclohexane-1-carboxamide
CID 112528043
N-(cyclohexylmethyl)-1H-benzimidazol-2-amine
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CID 119261485
1H-benzimidazol-2-ylcarbamic acid;1-(1H-benzimidazol-2-yl)-3-methylurea
CID 69462051
1-cyclohexyl-3-[6-(cyclohexylcarbamoylamino)-2-pyridinyl]urea
CID 4149033
1-(1,3-benzothiazol-2-yl)-3-cycloheptylurea
CID 30264876
1-cyclohexyl-3-(6H-indolo[3,2-b]quinoxalin-9-yl)urea
CID 126008161
N-(1H-benzimidazol-2-yl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 47044809
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Frequently Asked Questions

What is the IUPAC name of 1-(1H-benzimidazol-2-yl)-3-cyclohexylurea?
The IUPAC name of 1-(1H-benzimidazol-2-yl)-3-cyclohexylurea (CID 4159955) is 1-(1H-benzimidazol-2-yl)-3-cyclohexylurea.
What is the SMILES notation for 1-(1H-benzimidazol-2-yl)-3-cyclohexylurea?
The canonical SMILES for 1-(1H-benzimidazol-2-yl)-3-cyclohexylurea is O=C(Nc1nc2ccccc2[nH]1)NC1CCCCC1.
What is the InChIKey of 1-(1H-benzimidazol-2-yl)-3-cyclohexylurea?
The InChIKey is BZSIUMLEFGANJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c19-14(15-10-6-2-1-3-7-10)18-13-16-11-8-4-5-9-12(11)17-13/h4-5,8-10H,1-3,6-7H2,(H3,15,16,17,18,19).
What are the key properties of 1-(1H-benzimidazol-2-yl)-3-cyclohexylurea?
1-(1H-benzimidazol-2-yl)-3-cyclohexylurea has a molecular weight of 258.32 g/mol, XLogP of 3.02, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-benzimidazol-2-yl)-3-cyclohexylurea is sourced from PubChem (CID 4159955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).