[5-chloro-2-[(1-methylbenzimidazol-2-yl)methyl]phenyl]methanamine

C16H16ClN3 — CID 79754308

IUPAC[5-chloro-2-[(1-methylbenzimidazol-2-yl)methyl]phenyl]methanamine
SMILESCn1c(Cc2ccc(Cl)cc2CN)nc2ccccc21
InChIInChI=1S/C16H16ClN3/c1-20-15-5-3-2-4-14(15)19-16(20)9-11-6-7-13(17)8-12(11)10-18/h2-8H,9-10,18H2,1H3
InChIKeyWSRADUUYHYAEMO-UHFFFAOYSA-N
MW285.78 g/mol
LogP3.28
Rot. Bonds3

About [5-chloro-2-[(1-methylbenzimidazol-2-yl)methyl]phenyl]methanamine

[5-chloro-2-[(1-methylbenzimidazol-2-yl)methyl]phenyl]methanamine (PubChem CID 79754308) has the molecular formula C16H16ClN3 and a molecular weight of 285.78 g/mol. Its IUPAC name is [5-chloro-2-[(1-methylbenzimidazol-2-yl)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[5-chloro-2-[(1-methylbenzimidazol-2-yl)methyl]phenyl]methanamine
PubChem CID79754308
Molecular FormulaC16H16ClN3
Molecular Weight285.78 g/mol
Exact Mass285.10
IUPAC Name[5-chloro-2-[(1-methylbenzimidazol-2-yl)methyl]phenyl]methanamine
SMILESCn1c(Cc2ccc(Cl)cc2CN)nc2ccccc21
InChIInChI=1S/C16H16ClN3/c1-20-15-5-3-2-4-14(15)19-16(20)9-11-6-7-13(17)8-12(11)10-18/h2-8H,9-10,18H2,1H3
InChIKeyWSRADUUYHYAEMO-UHFFFAOYSA-N
XLogP3.28
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-3-[(1-methylbenzimidazol-2-yl)methyl]pyridin-2-amine
CID 79750643
2-(1-methylbenzimidazol-2-yl)ethanamine;dihydrochloride
CID 45075160
[5-chloro-2-(quinolin-2-ylmethyl)phenyl]methanamine
CID 66159539
3-methyl-4-[(1-methylbenzimidazol-2-yl)methyl]aniline
CID 79753807
2-[(6-chloropyridazin-3-yl)methyl]-1-methylbenzimidazole
CID 79753901
2-(5-chloro-1-methylbenzimidazol-2-yl)ethanamine;dihydrochloride
CID 71308073
2-[(1-methylbenzimidazol-2-yl)methyl]phenol
CID 14452296
2-fluoro-6-[(1-methylbenzimidazol-2-yl)methyl]aniline
CID 107602854
5-fluoro-2-[(1-methylbenzimidazol-2-yl)methyl]phenol
CID 83130766
[2-[(4-chlorophenyl)methyl]-3-methylbenzimidazol-5-yl]methanamine
CID 104713141
[2-[(1-propan-2-ylbenzimidazol-2-yl)methyl]phenyl]methanamine
CID 81312674
[5-chloro-2-(quinolin-4-ylmethyl)phenyl]methanamine
CID 66159150

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-[(1-methylbenzimidazol-2-yl)methyl]phenyl]methanamine?
The IUPAC name of [5-chloro-2-[(1-methylbenzimidazol-2-yl)methyl]phenyl]methanamine (CID 79754308) is [5-chloro-2-[(1-methylbenzimidazol-2-yl)methyl]phenyl]methanamine.
What is the SMILES notation for [5-chloro-2-[(1-methylbenzimidazol-2-yl)methyl]phenyl]methanamine?
The canonical SMILES for [5-chloro-2-[(1-methylbenzimidazol-2-yl)methyl]phenyl]methanamine is Cn1c(Cc2ccc(Cl)cc2CN)nc2ccccc21.
What is the InChIKey of [5-chloro-2-[(1-methylbenzimidazol-2-yl)methyl]phenyl]methanamine?
The InChIKey is WSRADUUYHYAEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3/c1-20-15-5-3-2-4-14(15)19-16(20)9-11-6-7-13(17)8-12(11)10-18/h2-8H,9-10,18H2,1H3.
What are the key properties of [5-chloro-2-[(1-methylbenzimidazol-2-yl)methyl]phenyl]methanamine?
[5-chloro-2-[(1-methylbenzimidazol-2-yl)methyl]phenyl]methanamine has a molecular weight of 285.78 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-[(1-methylbenzimidazol-2-yl)methyl]phenyl]methanamine is sourced from PubChem (CID 79754308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).