[4-(benzimidazol-1-ylmethyl)-3-chlorophenyl]methanamine

C15H14ClN3 — CID 102663221

IUPAC[4-(benzimidazol-1-ylmethyl)-3-chlorophenyl]methanamine
SMILESNCc1ccc(Cn2cnc3ccccc32)c(Cl)c1
InChIInChI=1S/C15H14ClN3/c16-13-7-11(8-17)5-6-12(13)9-19-10-18-14-3-1-2-4-15(14)19/h1-7,10H,8-9,17H2
InChIKeyFSAARYUPKYALOI-UHFFFAOYSA-N
MW271.75 g/mol
LogP3.20
Rot. Bonds3

About [4-(benzimidazol-1-ylmethyl)-3-chlorophenyl]methanamine

[4-(benzimidazol-1-ylmethyl)-3-chlorophenyl]methanamine (PubChem CID 102663221) has the molecular formula C15H14ClN3 and a molecular weight of 271.75 g/mol. Its IUPAC name is [4-(benzimidazol-1-ylmethyl)-3-chlorophenyl]methanamine.

Molecular Properties

Compound Name[4-(benzimidazol-1-ylmethyl)-3-chlorophenyl]methanamine
PubChem CID102663221
Molecular FormulaC15H14ClN3
Molecular Weight271.75 g/mol
Exact Mass271.09
IUPAC Name[4-(benzimidazol-1-ylmethyl)-3-chlorophenyl]methanamine
SMILESNCc1ccc(Cn2cnc3ccccc32)c(Cl)c1
InChIInChI=1S/C15H14ClN3/c16-13-7-11(8-17)5-6-12(13)9-19-10-18-14-3-1-2-4-15(14)19/h1-7,10H,8-9,17H2
InChIKeyFSAARYUPKYALOI-UHFFFAOYSA-N
XLogP3.20
TPSA43.84 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 ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(benzimidazol-1-ylmethyl)-4-methoxyphenyl]methanamine
CID 62016875
4-(benzimidazol-1-ylmethyl)-3-chlorobenzenecarboximidamide
CID 102668035
5-(benzimidazol-1-ylmethyl)-2-chloroaniline
CID 43169019
1-[[4-(benzimidazol-1-ylmethyl)-3-chlorophenyl]methyl]-N,N-dimethylpyrrolidin-3-amine
CID 25031888
1-[(3,5-dichlorophenyl)methyl]benzimidazole
CID 150699532
1-(benzimidazol-1-yl)-3-(3,4-dichlorophenyl)propan-2-one
CID 105089763
4-(benzimidazol-1-ylmethyl)phenol
CID 6498815
N-(2-aminophenyl)-4-(benzimidazol-1-ylmethyl)-3-chlorobenzamide
CID 11632239
9-[[4-(aminomethyl)-2-chlorophenyl]methyl]purin-6-amine
CID 102663266
2-(benzimidazol-1-ylmethyl)-5-fluoroaniline
CID 64768227
3-[4-(benzimidazol-1-ylmethyl)-3-chlorophenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 139532718
1-(benzimidazol-1-yl)-3-(2,4-dichlorophenyl)propan-2-ol
CID 105086748

Frequently Asked Questions

What is the IUPAC name of [4-(benzimidazol-1-ylmethyl)-3-chlorophenyl]methanamine?
The IUPAC name of [4-(benzimidazol-1-ylmethyl)-3-chlorophenyl]methanamine (CID 102663221) is [4-(benzimidazol-1-ylmethyl)-3-chlorophenyl]methanamine.
What is the SMILES notation for [4-(benzimidazol-1-ylmethyl)-3-chlorophenyl]methanamine?
The canonical SMILES for [4-(benzimidazol-1-ylmethyl)-3-chlorophenyl]methanamine is NCc1ccc(Cn2cnc3ccccc32)c(Cl)c1.
What is the InChIKey of [4-(benzimidazol-1-ylmethyl)-3-chlorophenyl]methanamine?
The InChIKey is FSAARYUPKYALOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3/c16-13-7-11(8-17)5-6-12(13)9-19-10-18-14-3-1-2-4-15(14)19/h1-7,10H,8-9,17H2.
What are the key properties of [4-(benzimidazol-1-ylmethyl)-3-chlorophenyl]methanamine?
[4-(benzimidazol-1-ylmethyl)-3-chlorophenyl]methanamine has a molecular weight of 271.75 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(benzimidazol-1-ylmethyl)-3-chlorophenyl]methanamine is sourced from PubChem (CID 102663221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).