[4-(5-bromo-1-propylbenzimidazol-2-yl)phenyl]methanamine

C17H18BrN3 — CID 60785381

IUPAC[4-(5-bromo-1-propylbenzimidazol-2-yl)phenyl]methanamine
SMILESCCCn1c(-c2ccc(CN)cc2)nc2cc(Br)ccc21
InChIInChI=1S/C17H18BrN3/c1-2-9-21-16-8-7-14(18)10-15(16)20-17(21)13-5-3-12(11-19)4-6-13/h3-8,10H,2,9,11,19H2,1H3
InChIKeySWCRTGKZGAAZTG-UHFFFAOYSA-N
MW344.26 g/mol
LogP4.33
Rot. Bonds4

About [4-(5-bromo-1-propylbenzimidazol-2-yl)phenyl]methanamine

[4-(5-bromo-1-propylbenzimidazol-2-yl)phenyl]methanamine (PubChem CID 60785381) has the molecular formula C17H18BrN3 and a molecular weight of 344.26 g/mol. Its IUPAC name is [4-(5-bromo-1-propylbenzimidazol-2-yl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(5-bromo-1-propylbenzimidazol-2-yl)phenyl]methanamine
PubChem CID60785381
Molecular FormulaC17H18BrN3
Molecular Weight344.26 g/mol
Exact Mass343.07
IUPAC Name[4-(5-bromo-1-propylbenzimidazol-2-yl)phenyl]methanamine
SMILESCCCn1c(-c2ccc(CN)cc2)nc2cc(Br)ccc21
InChIInChI=1S/C17H18BrN3/c1-2-9-21-16-8-7-14(18)10-15(16)20-17(21)13-5-3-12(11-19)4-6-13/h3-8,10H,2,9,11,19H2,1H3
InChIKeySWCRTGKZGAAZTG-UHFFFAOYSA-N
XLogP4.33
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.26
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-propyl-2-pyridin-4-ylbenzimidazol-5-yl)methanamine
CID 65038224
5-(5-bromo-1-propylbenzimidazol-2-yl)-2-chloroaniline
CID 60785537
[4-(1-butyl-5-methylbenzimidazol-2-yl)phenyl]methanamine
CID 82333100
5-(5-bromo-1-propylbenzimidazol-2-yl)-2-fluoroaniline
CID 60835546
[4-(5-bromo-1-cyclopropylbenzimidazol-2-yl)phenyl]methanamine
CID 60783970
2-(5-bromo-1-propylbenzimidazol-2-yl)benzene-1,3-diol
CID 136813268
3-(5-bromo-1-propylbenzimidazol-2-yl)-2-methylaniline
CID 62946740
[2-(4,5-dibromothiophen-2-yl)-1-propylbenzimidazol-5-yl]methanamine
CID 80537091
3-(5-bromo-1-propylbenzimidazol-2-yl)benzene-1,2-diol
CID 136928249
2-(4-methylphenyl)-1-propylbenzimidazole-5-carbonitrile
CID 65040444
2-bromo-5-(5-methyl-1-propylbenzimidazol-2-yl)aniline
CID 107812775
5-methyl-2-phenyl-1-propylbenzimidazole
CID 72721451

Frequently Asked Questions

What is the IUPAC name of [4-(5-bromo-1-propylbenzimidazol-2-yl)phenyl]methanamine?
The IUPAC name of [4-(5-bromo-1-propylbenzimidazol-2-yl)phenyl]methanamine (CID 60785381) is [4-(5-bromo-1-propylbenzimidazol-2-yl)phenyl]methanamine.
What is the SMILES notation for [4-(5-bromo-1-propylbenzimidazol-2-yl)phenyl]methanamine?
The canonical SMILES for [4-(5-bromo-1-propylbenzimidazol-2-yl)phenyl]methanamine is CCCn1c(-c2ccc(CN)cc2)nc2cc(Br)ccc21.
What is the InChIKey of [4-(5-bromo-1-propylbenzimidazol-2-yl)phenyl]methanamine?
The InChIKey is SWCRTGKZGAAZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3/c1-2-9-21-16-8-7-14(18)10-15(16)20-17(21)13-5-3-12(11-19)4-6-13/h3-8,10H,2,9,11,19H2,1H3.
What are the key properties of [4-(5-bromo-1-propylbenzimidazol-2-yl)phenyl]methanamine?
[4-(5-bromo-1-propylbenzimidazol-2-yl)phenyl]methanamine has a molecular weight of 344.26 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-bromo-1-propylbenzimidazol-2-yl)phenyl]methanamine is sourced from PubChem (CID 60785381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).