N-(3H-benzimidazol-5-ylmethyl)-2-(4-cyclohexyloxyphenyl)aniline

C26H27N3O — CID 135347469

IUPACN-(3H-benzimidazol-5-ylmethyl)-2-(4-cyclohexyloxyphenyl)aniline
SMILESc1ccc(-c2ccc(OC3CCCCC3)cc2)c(NCc2ccc3nc[nH]c3c2)c1
InChIInChI=1S/C26H27N3O/c1-2-6-21(7-3-1)30-22-13-11-20(12-14-22)23-8-4-5-9-24(23)27-17-19-10-15-25-26(16-19)29-18-28-25/h4-5,8-16,18,21,27H,1-3,6-7,17H2,(H,28,29)
InChIKeyPJFLQPKDYJEKHQ-UHFFFAOYSA-N
MW397.52 g/mol
LogP6.55
Rot. Bonds6

About N-(3H-benzimidazol-5-ylmethyl)-2-(4-cyclohexyloxyphenyl)aniline

N-(3H-benzimidazol-5-ylmethyl)-2-(4-cyclohexyloxyphenyl)aniline (PubChem CID 135347469) has the molecular formula C26H27N3O and a molecular weight of 397.52 g/mol. Its IUPAC name is N-(3H-benzimidazol-5-ylmethyl)-2-(4-cyclohexyloxyphenyl)aniline.

Molecular Properties

Compound NameN-(3H-benzimidazol-5-ylmethyl)-2-(4-cyclohexyloxyphenyl)aniline
PubChem CID135347469
Molecular FormulaC26H27N3O
Molecular Weight397.52 g/mol
Exact Mass397.22
IUPAC NameN-(3H-benzimidazol-5-ylmethyl)-2-(4-cyclohexyloxyphenyl)aniline
SMILESc1ccc(-c2ccc(OC3CCCCC3)cc2)c(NCc2ccc3nc[nH]c3c2)c1
InChIInChI=1S/C26H27N3O/c1-2-6-21(7-3-1)30-22-13-11-20(12-14-22)23-8-4-5-9-24(23)27-17-19-10-15-25-26(16-19)29-18-28-25/h4-5,8-16,18,21,27H,1-3,6-7,17H2,(H,28,29)
InChIKeyPJFLQPKDYJEKHQ-UHFFFAOYSA-N
XLogP6.55
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.52
LogP ≤ 56.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3H-benzimidazol-5-ylmethyl)-2-(4-cyclohexyloxyphenyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3H-benzimidazol-5-ylmethyl)-2-(4-phenoxyphenyl)aniline
CID 135347401
N-(3H-benzimidazol-5-ylmethyl)-2-(4-propoxyphenyl)aniline
CID 135347319
N-(3H-benzimidazol-5-ylmethyl)-4-(4-methoxyphenyl)pyridin-3-amine
CID 135347411
2-chloro-N-[(4-cyclopentyloxyphenyl)methyl]aniline
CID 39425837
N-(3H-benzimidazol-5-ylmethyl)-3-(4-fluorophenyl)pyridin-2-amine
CID 142440503
N-(3H-benzimidazol-5-ylmethyl)-2-(4-fluorophenyl)pyridin-3-amine
CID 135347418
N-(3H-benzimidazol-5-ylmethyl)-2-[(1S,3R)-3-(3-methylphenoxy)cyclohexyl]propan-1-amine
CID 134248687
2-[4-(3H-benzimidazol-5-yl)phenoxy]-N-(cyclohexylmethyl)ethanamine
CID 59474577
1-(3H-benzimidazol-5-ylmethyl)-3-cyclopentylurea
CID 110775446
N-(3H-benzimidazol-5-ylmethyl)-3-bromo-5-cyclohexylpyrazolo[1,5-a]pyrimidin-7-amine;N-(3H-benzimidazol-5-ylmethyl)-3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 143090579
N-[(4-cyclopentyloxyphenyl)methyl]cyclohexanamine
CID 39372881
[5-(3H-benzimidazol-5-ylmethylamino)quinolin-2-yl]azanide;carbanide;yttrium
CID 59551873

Frequently Asked Questions

What is the IUPAC name of N-(3H-benzimidazol-5-ylmethyl)-2-(4-cyclohexyloxyphenyl)aniline?
The IUPAC name of N-(3H-benzimidazol-5-ylmethyl)-2-(4-cyclohexyloxyphenyl)aniline (CID 135347469) is N-(3H-benzimidazol-5-ylmethyl)-2-(4-cyclohexyloxyphenyl)aniline.
What is the SMILES notation for N-(3H-benzimidazol-5-ylmethyl)-2-(4-cyclohexyloxyphenyl)aniline?
The canonical SMILES for N-(3H-benzimidazol-5-ylmethyl)-2-(4-cyclohexyloxyphenyl)aniline is c1ccc(-c2ccc(OC3CCCCC3)cc2)c(NCc2ccc3nc[nH]c3c2)c1.
What is the InChIKey of N-(3H-benzimidazol-5-ylmethyl)-2-(4-cyclohexyloxyphenyl)aniline?
The InChIKey is PJFLQPKDYJEKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O/c1-2-6-21(7-3-1)30-22-13-11-20(12-14-22)23-8-4-5-9-24(23)27-17-19-10-15-25-26(16-19)29-18-28-25/h4-5,8-16,18,21,27H,1-3,6-7,17H2,(H,28,29).
What are the key properties of N-(3H-benzimidazol-5-ylmethyl)-2-(4-cyclohexyloxyphenyl)aniline?
N-(3H-benzimidazol-5-ylmethyl)-2-(4-cyclohexyloxyphenyl)aniline has a molecular weight of 397.52 g/mol, XLogP of 6.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3H-benzimidazol-5-ylmethyl)-2-(4-cyclohexyloxyphenyl)aniline is sourced from PubChem (CID 135347469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).