2-(cyclohexylmethyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-methylbenzimidazol-4-amine

C26H31N5O — CID 58065695

IUPAC2-(cyclohexylmethyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-methylbenzimidazol-4-amine
SMILESCOc1cc(Nc2cccc3c2nc(CC2CCCCC2)n3C)ccc1-n1cnc(C)c1
InChIInChI=1S/C26H31N5O/c1-18-16-31(17-27-18)22-13-12-20(15-24(22)32-3)28-21-10-7-11-23-26(21)29-25(30(23)2)14-19-8-5-4-6-9-19/h7,10-13,15-17,19,28H,4-6,8-9,14H2,1-3H3
InChIKeyFIDGBTYVATUUDL-UHFFFAOYSA-N
MW429.57 g/mol
LogP5.94
Rot. Bonds6

About 2-(cyclohexylmethyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-methylbenzimidazol-4-amine

2-(cyclohexylmethyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-methylbenzimidazol-4-amine (PubChem CID 58065695) has the molecular formula C26H31N5O and a molecular weight of 429.57 g/mol. Its IUPAC name is 2-(cyclohexylmethyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-methylbenzimidazol-4-amine.

Molecular Properties

Compound Name2-(cyclohexylmethyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-methylbenzimidazol-4-amine
PubChem CID58065695
Molecular FormulaC26H31N5O
Molecular Weight429.57 g/mol
Exact Mass429.25
IUPAC Name2-(cyclohexylmethyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-methylbenzimidazol-4-amine
SMILESCOc1cc(Nc2cccc3c2nc(CC2CCCCC2)n3C)ccc1-n1cnc(C)c1
InChIInChI=1S/C26H31N5O/c1-18-16-31(17-27-18)22-13-12-20(15-24(22)32-3)28-21-10-7-11-23-26(21)29-25(30(23)2)14-19-8-5-4-6-9-19/h7,10-13,15-17,19,28H,4-6,8-9,14H2,1-3H3
InChIKeyFIDGBTYVATUUDL-UHFFFAOYSA-N
XLogP5.94
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.57
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-(3,3,3-trifluoropropyl)benzimidazol-4-amine
CID 66679933
2-tert-butyl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1H-indol-4-amine
CID 141273914
7-(methoxymethyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 123144528
4,6-dichloro-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3,5-triazin-2-amine
CID 87317448
(7R)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-methyl-7-(phenoxymethyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 118246283
7-cyclobutyl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 123965914
N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-methyl-6-methylidene-6a,7,8,9-tetrahydropyrrolo[2,1-h]pteridin-2-amine
CID 118011296
8-(4-fluoropiperidin-1-yl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 53340581
N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-phenylpurin-2-amine
CID 178075687
N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4-piperidin-1-ylspiro[7H-thieno[3,2-d]pyrimidine-6,1'-cyclohexane]-2-amine
CID 71260471
5-N-(cyclopropylmethyl)-3-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-(2-methylpropyl)-1,2,4-triazole-3,5-diamine
CID 86344122
benzene;N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine;molecular hydrogen
CID 144890338

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-methylbenzimidazol-4-amine?
The IUPAC name of 2-(cyclohexylmethyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-methylbenzimidazol-4-amine (CID 58065695) is 2-(cyclohexylmethyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-methylbenzimidazol-4-amine.
What is the SMILES notation for 2-(cyclohexylmethyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-methylbenzimidazol-4-amine?
The canonical SMILES for 2-(cyclohexylmethyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-methylbenzimidazol-4-amine is COc1cc(Nc2cccc3c2nc(CC2CCCCC2)n3C)ccc1-n1cnc(C)c1.
What is the InChIKey of 2-(cyclohexylmethyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-methylbenzimidazol-4-amine?
The InChIKey is FIDGBTYVATUUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O/c1-18-16-31(17-27-18)22-13-12-20(15-24(22)32-3)28-21-10-7-11-23-26(21)29-25(30(23)2)14-19-8-5-4-6-9-19/h7,10-13,15-17,19,28H,4-6,8-9,14H2,1-3H3.
What are the key properties of 2-(cyclohexylmethyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-methylbenzimidazol-4-amine?
2-(cyclohexylmethyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-methylbenzimidazol-4-amine has a molecular weight of 429.57 g/mol, XLogP of 5.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-methylbenzimidazol-4-amine is sourced from PubChem (CID 58065695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).