[2-[(2-chlorophenyl)methyl]-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-yl]methanamine

C15H20ClN3 — CID 115065911

IUPAC[2-[(2-chlorophenyl)methyl]-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-yl]methanamine
SMILESNCC1CCC2N=C(Cc3ccccc3Cl)NC2C1
InChIInChI=1S/C15H20ClN3/c16-12-4-2-1-3-11(12)8-15-18-13-6-5-10(9-17)7-14(13)19-15/h1-4,10,13-14H,5-9,17H2,(H,18,19)
InChIKeyCTYFTULOXFUCLR-UHFFFAOYSA-N
MW277.80 g/mol
LogP2.38
Rot. Bonds3

About [2-[(2-chlorophenyl)methyl]-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-yl]methanamine

[2-[(2-chlorophenyl)methyl]-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-yl]methanamine (PubChem CID 115065911) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is [2-[(2-chlorophenyl)methyl]-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-[(2-chlorophenyl)methyl]-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-yl]methanamine
PubChem CID115065911
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC Name[2-[(2-chlorophenyl)methyl]-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-yl]methanamine
SMILESNCC1CCC2N=C(Cc3ccccc3Cl)NC2C1
InChIInChI=1S/C15H20ClN3/c16-12-4-2-1-3-11(12)8-15-18-13-6-5-10(9-17)7-14(13)19-15/h1-4,10,13-14H,5-9,17H2,(H,18,19)
InChIKeyCTYFTULOXFUCLR-UHFFFAOYSA-N
XLogP2.38
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [2-[(2-chlorophenyl)methyl]-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-yl]methanamine 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

(2-chlorophenyl)methyl 4-(aminomethyl)cyclohexane-1-carboxylate
CID 79525379
2-(3a,4,5,6,7,7a-hexahydro-3H-imidazo[4,5-c]pyridin-2-ylmethyl)phenol
CID 115065578
2-[(2-chlorophenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one
CID 106952168
4-N-[(2-chlorophenyl)methyl]cyclohexane-1,4-diamine;hydrochloride
CID 66569865
2-[2-[(2-chlorophenyl)methyl]-4,5-dihydro-1,3-oxazol-4-yl]ethanamine
CID 115061171
1-chloro-2-[(4-methylcyclohexyl)methyl]benzene
CID 71050901
2-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazol-5-amine
CID 115066207
[1-[(2-chlorophenyl)methyl]piperidin-2-yl]methanamine
CID 43187060
2-[4-[(2-chlorophenyl)methyl]-1H-pyrazol-5-yl]ethanamine
CID 96595056
1-chloro-2-(cyclohexylmethyl)benzene
CID 54348768
1-[5-[(2-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]piperidin-4-amine
CID 102793818
2-[(2-chlorophenyl)methyl]-4-ethylcyclohexan-1-amine
CID 55185968

Frequently Asked Questions

What is the IUPAC name of [2-[(2-chlorophenyl)methyl]-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-yl]methanamine?
The IUPAC name of [2-[(2-chlorophenyl)methyl]-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-yl]methanamine (CID 115065911) is [2-[(2-chlorophenyl)methyl]-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-yl]methanamine.
What is the SMILES notation for [2-[(2-chlorophenyl)methyl]-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-yl]methanamine?
The canonical SMILES for [2-[(2-chlorophenyl)methyl]-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-yl]methanamine is NCC1CCC2N=C(Cc3ccccc3Cl)NC2C1.
What is the InChIKey of [2-[(2-chlorophenyl)methyl]-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-yl]methanamine?
The InChIKey is CTYFTULOXFUCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3/c16-12-4-2-1-3-11(12)8-15-18-13-6-5-10(9-17)7-14(13)19-15/h1-4,10,13-14H,5-9,17H2,(H,18,19).
What are the key properties of [2-[(2-chlorophenyl)methyl]-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-yl]methanamine?
[2-[(2-chlorophenyl)methyl]-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-yl]methanamine has a molecular weight of 277.80 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-chlorophenyl)methyl]-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-yl]methanamine is sourced from PubChem (CID 115065911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).