1-[(3-chlorophenyl)methyl]-2-methylbenzimidazol-5-amine

C15H14ClN3 — CID 62533806

IUPAC1-[(3-chlorophenyl)methyl]-2-methylbenzimidazol-5-amine
SMILESCc1nc2cc(N)ccc2n1Cc1cccc(Cl)c1
InChIInChI=1S/C15H14ClN3/c1-10-18-14-8-13(17)5-6-15(14)19(10)9-11-3-2-4-12(16)7-11/h2-8H,9,17H2,1H3
InChIKeyYWJWEBPVMCJJHF-UHFFFAOYSA-N
MW271.75 g/mol
LogP3.63
Rot. Bonds2

About 1-[(3-chlorophenyl)methyl]-2-methylbenzimidazol-5-amine

1-[(3-chlorophenyl)methyl]-2-methylbenzimidazol-5-amine (PubChem CID 62533806) has the molecular formula C15H14ClN3 and a molecular weight of 271.75 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-2-methylbenzimidazol-5-amine.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-2-methylbenzimidazol-5-amine
PubChem CID62533806
Molecular FormulaC15H14ClN3
Molecular Weight271.75 g/mol
Exact Mass271.09
IUPAC Name1-[(3-chlorophenyl)methyl]-2-methylbenzimidazol-5-amine
SMILESCc1nc2cc(N)ccc2n1Cc1cccc(Cl)c1
InChIInChI=1S/C15H14ClN3/c1-10-18-14-8-13(17)5-6-15(14)19(10)9-11-3-2-4-12(16)7-11/h2-8H,9,17H2,1H3
InChIKeyYWJWEBPVMCJJHF-UHFFFAOYSA-N
XLogP3.63
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[(3-chlorophenyl)methyl]-2-ethylbenzimidazol-5-amine
CID 62533807
1-[5-amino-1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]ethanol
CID 62595654
3-[(5-amino-2-methylbenzimidazol-1-yl)methyl]benzonitrile
CID 62506230
4-[(5,6-dichloro-2-methylbenzimidazol-1-yl)methyl]aniline
CID 94756819
2-methyl-1-[(6-methyl-3-pyridinyl)methyl]benzimidazol-5-amine
CID 62992193
1-[(2-ethylphenyl)methyl]-2-methylbenzimidazol-5-amine
CID 64694790
2-methyl-1-(3-phenylpropyl)benzimidazol-5-amine
CID 62506548
1-[2-(2,4-dichlorophenyl)ethyl]-2-methylbenzimidazol-5-amine
CID 62507980
1-benzyl-2-propan-2-ylbenzimidazol-5-amine
CID 43830828
2-chloro-5-[(2-methylbenzimidazol-1-yl)methyl]aniline
CID 43349882
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylbenzimidazol-5-amine
CID 106376371
5-chloro-1-[(3-chlorophenyl)methyl]-6-fluorobenzimidazol-2-amine
CID 66078721

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-2-methylbenzimidazol-5-amine?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-2-methylbenzimidazol-5-amine (CID 62533806) is 1-[(3-chlorophenyl)methyl]-2-methylbenzimidazol-5-amine.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-2-methylbenzimidazol-5-amine?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-2-methylbenzimidazol-5-amine is Cc1nc2cc(N)ccc2n1Cc1cccc(Cl)c1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-2-methylbenzimidazol-5-amine?
The InChIKey is YWJWEBPVMCJJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3/c1-10-18-14-8-13(17)5-6-15(14)19(10)9-11-3-2-4-12(16)7-11/h2-8H,9,17H2,1H3.
What are the key properties of 1-[(3-chlorophenyl)methyl]-2-methylbenzimidazol-5-amine?
1-[(3-chlorophenyl)methyl]-2-methylbenzimidazol-5-amine has a molecular weight of 271.75 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-2-methylbenzimidazol-5-amine is sourced from PubChem (CID 62533806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).