(5-chloro-1-methylbenzimidazol-2-yl)-phenylmethanamine

C15H14ClN3 — CID 54920059

IUPAC(5-chloro-1-methylbenzimidazol-2-yl)-phenylmethanamine
SMILESCn1c(C(N)c2ccccc2)nc2cc(Cl)ccc21
InChIInChI=1S/C15H14ClN3/c1-19-13-8-7-11(16)9-12(13)18-15(19)14(17)10-5-3-2-4-6-10/h2-9,14H,17H2,1H3
InChIKeyARHILBCKJSPVSP-UHFFFAOYSA-N
MW271.75 g/mol
LogP3.27
Rot. Bonds2

About (5-chloro-1-methylbenzimidazol-2-yl)-phenylmethanamine

(5-chloro-1-methylbenzimidazol-2-yl)-phenylmethanamine (PubChem CID 54920059) has the molecular formula C15H14ClN3 and a molecular weight of 271.75 g/mol. Its IUPAC name is (5-chloro-1-methylbenzimidazol-2-yl)-phenylmethanamine.

Molecular Properties

Compound Name(5-chloro-1-methylbenzimidazol-2-yl)-phenylmethanamine
PubChem CID54920059
Molecular FormulaC15H14ClN3
Molecular Weight271.75 g/mol
Exact Mass271.09
IUPAC Name(5-chloro-1-methylbenzimidazol-2-yl)-phenylmethanamine
SMILESCn1c(C(N)c2ccccc2)nc2cc(Cl)ccc21
InChIInChI=1S/C15H14ClN3/c1-19-13-8-7-11(16)9-12(13)18-15(19)14(17)10-5-3-2-4-6-10/h2-9,14H,17H2,1H3
InChIKeyARHILBCKJSPVSP-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chloro-1-ethylbenzimidazol-2-yl)-phenylmethanamine
CID 60784401
3-(5-chloro-1-methylbenzimidazol-2-yl)-2,3-dihydroxypropanoic acid
CID 54772628
(3-methylimidazo[4,5-c]pyridin-2-yl)-phenylmethanamine
CID 114793414
5-chloro-1-ethyl-2-(1-phenylpropyl)benzimidazole
CID 46310477
6-chloro-1-methyl-2-[phenyl(phenylsulfanyl)methyl]benzimidazole
CID 46310351
(6-chloro-1-methylbenzimidazol-2-yl)-cyclopropylmethanamine
CID 115472454
5-chloro-2-(1-chloroethyl)-1-phenylbenzimidazole
CID 43667015
1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)ethanamine
CID 82493456
5-chloro-1-methyl-2-(phenoxymethyl)benzimidazole
CID 46310360
methyl 2-(5-chloro-1-methylbenzimidazol-2-yl)-2-cyclopentylacetate
CID 115926131
2-(5-chloro-1-methylbenzimidazol-2-yl)ethanamine;dihydrochloride
CID 71308073
5-chloro-1-methyl-2-propan-2-ylsulfanylbenzimidazole
CID 52644652

Frequently Asked Questions

What is the IUPAC name of (5-chloro-1-methylbenzimidazol-2-yl)-phenylmethanamine?
The IUPAC name of (5-chloro-1-methylbenzimidazol-2-yl)-phenylmethanamine (CID 54920059) is (5-chloro-1-methylbenzimidazol-2-yl)-phenylmethanamine.
What is the SMILES notation for (5-chloro-1-methylbenzimidazol-2-yl)-phenylmethanamine?
The canonical SMILES for (5-chloro-1-methylbenzimidazol-2-yl)-phenylmethanamine is Cn1c(C(N)c2ccccc2)nc2cc(Cl)ccc21.
What is the InChIKey of (5-chloro-1-methylbenzimidazol-2-yl)-phenylmethanamine?
The InChIKey is ARHILBCKJSPVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3/c1-19-13-8-7-11(16)9-12(13)18-15(19)14(17)10-5-3-2-4-6-10/h2-9,14H,17H2,1H3.
What are the key properties of (5-chloro-1-methylbenzimidazol-2-yl)-phenylmethanamine?
(5-chloro-1-methylbenzimidazol-2-yl)-phenylmethanamine has a molecular weight of 271.75 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1-methylbenzimidazol-2-yl)-phenylmethanamine is sourced from PubChem (CID 54920059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).