[4-(1-butyl-5-methylbenzimidazol-2-yl)phenyl]methanamine

C19H23N3 — CID 82333100

IUPAC[4-(1-butyl-5-methylbenzimidazol-2-yl)phenyl]methanamine
SMILESCCCCn1c(-c2ccc(CN)cc2)nc2cc(C)ccc21
InChIInChI=1S/C19H23N3/c1-3-4-11-22-18-10-5-14(2)12-17(18)21-19(22)16-8-6-15(13-20)7-9-16/h5-10,12H,3-4,11,13,20H2,1-2H3
InChIKeyPKAQBVGKFRHILL-UHFFFAOYSA-N
MW293.41 g/mol
LogP4.27
Rot. Bonds5

About [4-(1-butyl-5-methylbenzimidazol-2-yl)phenyl]methanamine

[4-(1-butyl-5-methylbenzimidazol-2-yl)phenyl]methanamine (PubChem CID 82333100) has the molecular formula C19H23N3 and a molecular weight of 293.41 g/mol. Its IUPAC name is [4-(1-butyl-5-methylbenzimidazol-2-yl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(1-butyl-5-methylbenzimidazol-2-yl)phenyl]methanamine
PubChem CID82333100
Molecular FormulaC19H23N3
Molecular Weight293.41 g/mol
Exact Mass293.19
IUPAC Name[4-(1-butyl-5-methylbenzimidazol-2-yl)phenyl]methanamine
SMILESCCCCn1c(-c2ccc(CN)cc2)nc2cc(C)ccc21
InChIInChI=1S/C19H23N3/c1-3-4-11-22-18-10-5-14(2)12-17(18)21-19(22)16-8-6-15(13-20)7-9-16/h5-10,12H,3-4,11,13,20H2,1-2H3
InChIKeyPKAQBVGKFRHILL-UHFFFAOYSA-N
XLogP4.27
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-butyl-5-methylbenzimidazol-2-yl)aniline
CID 82333006
[4-(5-methyl-1-prop-2-ynylbenzimidazol-2-yl)phenyl]methanamine
CID 82333104
[4-(5-bromo-1-propylbenzimidazol-2-yl)phenyl]methanamine
CID 60785381
(1-propyl-2-pyridin-4-ylbenzimidazol-5-yl)methanamine
CID 65038224
5-methyl-2-phenyl-1-propylbenzimidazole
CID 72721451
N-methyl-4-(5-methyl-1-propylbenzimidazol-2-yl)aniline
CID 104698494
2-[4-(chloromethyl)phenyl]-1-ethyl-5-methylbenzimidazole
CID 60785471
methyl 3-[[2-[4-(aminomethyl)phenyl]-1-tetradecylbenzimidazole-5-carbonyl]amino]propanoate
CID 19921106
2-chloro-5-(5-methyl-1-propylbenzimidazol-2-yl)aniline
CID 60785145
2-(4-methylphenyl)-1-propylbenzimidazole-5-carbonitrile
CID 65040444
2-bromo-5-(5-methyl-1-propylbenzimidazol-2-yl)aniline
CID 107812775
1-benzyl-5-methyl-2-(4-methylphenyl)benzimidazole
CID 12620886

Frequently Asked Questions

What is the IUPAC name of [4-(1-butyl-5-methylbenzimidazol-2-yl)phenyl]methanamine?
The IUPAC name of [4-(1-butyl-5-methylbenzimidazol-2-yl)phenyl]methanamine (CID 82333100) is [4-(1-butyl-5-methylbenzimidazol-2-yl)phenyl]methanamine.
What is the SMILES notation for [4-(1-butyl-5-methylbenzimidazol-2-yl)phenyl]methanamine?
The canonical SMILES for [4-(1-butyl-5-methylbenzimidazol-2-yl)phenyl]methanamine is CCCCn1c(-c2ccc(CN)cc2)nc2cc(C)ccc21.
What is the InChIKey of [4-(1-butyl-5-methylbenzimidazol-2-yl)phenyl]methanamine?
The InChIKey is PKAQBVGKFRHILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3/c1-3-4-11-22-18-10-5-14(2)12-17(18)21-19(22)16-8-6-15(13-20)7-9-16/h5-10,12H,3-4,11,13,20H2,1-2H3.
What are the key properties of [4-(1-butyl-5-methylbenzimidazol-2-yl)phenyl]methanamine?
[4-(1-butyl-5-methylbenzimidazol-2-yl)phenyl]methanamine has a molecular weight of 293.41 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-butyl-5-methylbenzimidazol-2-yl)phenyl]methanamine is sourced from PubChem (CID 82333100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).