N-[(2-chlorophenyl)methyl]-1-methylbenzimidazol-2-amine

C15H14ClN3 — CID 936609

IUPACN-[(2-chlorophenyl)methyl]-1-methylbenzimidazol-2-amine
SMILESCn1c(NCc2ccccc2Cl)nc2ccccc21
InChIInChI=1S/C15H14ClN3/c1-19-14-9-5-4-8-13(14)18-15(19)17-10-11-6-2-3-7-12(11)16/h2-9H,10H2,1H3,(H,17,18)
InChIKeyPBTQSNQMDKWLNT-UHFFFAOYSA-N
MW271.75 g/mol
LogP3.84
Rot. Bonds3

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

N-[(2-chlorophenyl)methyl]-1-methylbenzimidazol-2-amine (PubChem CID 936609) has the molecular formula C15H14ClN3 and a molecular weight of 271.75 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-methylbenzimidazol-2-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-methylbenzimidazol-2-amine
PubChem CID936609
Molecular FormulaC15H14ClN3
Molecular Weight271.75 g/mol
Exact Mass271.09
IUPAC NameN-[(2-chlorophenyl)methyl]-1-methylbenzimidazol-2-amine
SMILESCn1c(NCc2ccccc2Cl)nc2ccccc21
InChIInChI=1S/C15H14ClN3/c1-19-14-9-5-4-8-13(14)18-15(19)17-10-11-6-2-3-7-12(11)16/h2-9H,10H2,1H3,(H,17,18)
InChIKeyPBTQSNQMDKWLNT-UHFFFAOYSA-N
XLogP3.84
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-methylbenzimidazol-2-amine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-methylbenzimidazol-2-amine (CID 936609) is N-[(2-chlorophenyl)methyl]-1-methylbenzimidazol-2-amine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-methylbenzimidazol-2-amine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-methylbenzimidazol-2-amine is Cn1c(NCc2ccccc2Cl)nc2ccccc21.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-methylbenzimidazol-2-amine?
The InChIKey is PBTQSNQMDKWLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3/c1-19-14-9-5-4-8-13(14)18-15(19)17-10-11-6-2-3-7-12(11)16/h2-9H,10H2,1H3,(H,17,18).
What are the key properties of N-[(2-chlorophenyl)methyl]-1-methylbenzimidazol-2-amine?
N-[(2-chlorophenyl)methyl]-1-methylbenzimidazol-2-amine has a molecular weight of 271.75 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1-methylbenzimidazol-2-amine is sourced from PubChem (CID 936609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).