N-[(2-methylcyclohexylidene)amino]-1H-benzimidazol-2-amine

C14H18N4 — CID 4196767

IUPACN-[(2-methylcyclohexylidene)amino]-1H-benzimidazol-2-amine
SMILESCC1CCCCC1=NNc1nc2ccccc2[nH]1
InChIInChI=1S/C14H18N4/c1-10-6-2-3-7-11(10)17-18-14-15-12-8-4-5-9-13(12)16-14/h4-5,8-10H,2-3,6-7H2,1H3,(H2,15,16,18)
InChIKeyBPOAICCYARPGCI-UHFFFAOYSA-N
MW242.33 g/mol
LogP3.54
Rot. Bonds2

About N-[(2-methylcyclohexylidene)amino]-1H-benzimidazol-2-amine

N-[(2-methylcyclohexylidene)amino]-1H-benzimidazol-2-amine (PubChem CID 4196767) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is N-[(2-methylcyclohexylidene)amino]-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-[(2-methylcyclohexylidene)amino]-1H-benzimidazol-2-amine
PubChem CID4196767
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC NameN-[(2-methylcyclohexylidene)amino]-1H-benzimidazol-2-amine
SMILESCC1CCCCC1=NNc1nc2ccccc2[nH]1
InChIInChI=1S/C14H18N4/c1-10-6-2-3-7-11(10)17-18-14-15-12-8-4-5-9-13(12)16-14/h4-5,8-10H,2-3,6-7H2,1H3,(H2,15,16,18)
InChIKeyBPOAICCYARPGCI-UHFFFAOYSA-N
XLogP3.54
TPSA53.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(2-methylcyclohexylidene)amino]-1H-benzimidazol-2-amine 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-cyclooctyl-1H-benzimidazol-2-amine
CID 46784683
N-[(Z)-6-bicyclo[3.2.0]hept-3-enylideneamino]-1H-benzimidazol-2-amine
CID 6087223
N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-1H-benzimidazol-2-amine
CID 4171111
6-methyl-3-[(2Z)-2-[(2S)-2-methylcyclohexylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
CID 135784973
4-(1H-benzimidazol-2-ylamino)benzonitrile;methylcyclohexane
CID 144901645
N-(cyclohexylmethyl)-1H-benzimidazol-2-amine
CID 18685672
4-(1H-benzimidazol-2-ylamino)cyclohexan-1-one
CID 138676689
N-(1H-benzimidazol-2-yl)bicyclo[4.1.0]heptane-7-carboxamide
CID 79140104
[1-(1H-benzimidazol-2-ylamino)-3-methylcyclohexyl]methanol
CID 55129797
(NE)-N-[2-(1H-benzimidazol-2-ylsulfanyl)cyclooctylidene]hydroxylamine
CID 6264734
(NZ)-N-[(2S)-2-(1H-benzimidazol-2-ylsulfanyl)cyclooctylidene]hydroxylamine
CID 40543877
N-[(Z)-3,3-dimethylbutan-2-ylideneamino]-1H-benzimidazol-2-amine
CID 5396624

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylcyclohexylidene)amino]-1H-benzimidazol-2-amine?
The IUPAC name of N-[(2-methylcyclohexylidene)amino]-1H-benzimidazol-2-amine (CID 4196767) is N-[(2-methylcyclohexylidene)amino]-1H-benzimidazol-2-amine.
What is the SMILES notation for N-[(2-methylcyclohexylidene)amino]-1H-benzimidazol-2-amine?
The canonical SMILES for N-[(2-methylcyclohexylidene)amino]-1H-benzimidazol-2-amine is CC1CCCCC1=NNc1nc2ccccc2[nH]1.
What is the InChIKey of N-[(2-methylcyclohexylidene)amino]-1H-benzimidazol-2-amine?
The InChIKey is BPOAICCYARPGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-10-6-2-3-7-11(10)17-18-14-15-12-8-4-5-9-13(12)16-14/h4-5,8-10H,2-3,6-7H2,1H3,(H2,15,16,18).
What are the key properties of N-[(2-methylcyclohexylidene)amino]-1H-benzimidazol-2-amine?
N-[(2-methylcyclohexylidene)amino]-1H-benzimidazol-2-amine has a molecular weight of 242.33 g/mol, XLogP of 3.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylcyclohexylidene)amino]-1H-benzimidazol-2-amine is sourced from PubChem (CID 4196767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).