[4-(5-methyl-1-prop-2-ynylbenzimidazol-2-yl)phenyl]methanamine

C18H17N3 — CID 82333104

IUPAC[4-(5-methyl-1-prop-2-ynylbenzimidazol-2-yl)phenyl]methanamine
SMILESC#CCn1c(-c2ccc(CN)cc2)nc2cc(C)ccc21
InChIInChI=1S/C18H17N3/c1-3-10-21-17-9-4-13(2)11-16(17)20-18(21)15-7-5-14(12-19)6-8-15/h1,4-9,11H,10,12,19H2,2H3
InChIKeySSVFSGZHLDTMTR-UHFFFAOYSA-N
MW275.36 g/mol
LogP3.10
Rot. Bonds3

About [4-(5-methyl-1-prop-2-ynylbenzimidazol-2-yl)phenyl]methanamine

[4-(5-methyl-1-prop-2-ynylbenzimidazol-2-yl)phenyl]methanamine (PubChem CID 82333104) has the molecular formula C18H17N3 and a molecular weight of 275.36 g/mol. Its IUPAC name is [4-(5-methyl-1-prop-2-ynylbenzimidazol-2-yl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(5-methyl-1-prop-2-ynylbenzimidazol-2-yl)phenyl]methanamine
PubChem CID82333104
Molecular FormulaC18H17N3
Molecular Weight275.36 g/mol
Exact Mass275.14
IUPAC Name[4-(5-methyl-1-prop-2-ynylbenzimidazol-2-yl)phenyl]methanamine
SMILESC#CCn1c(-c2ccc(CN)cc2)nc2cc(C)ccc21
InChIInChI=1S/C18H17N3/c1-3-10-21-17-9-4-13(2)11-16(17)20-18(21)15-7-5-14(12-19)6-8-15/h1,4-9,11H,10,12,19H2,2H3
InChIKeySSVFSGZHLDTMTR-UHFFFAOYSA-N
XLogP3.10
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

[4-(1-butyl-5-methylbenzimidazol-2-yl)phenyl]methanamine
CID 82333100
2-[4-(chloromethyl)phenyl]-1-ethyl-5-methylbenzimidazole
CID 60785471
1-benzyl-5-methyl-2-(4-methylphenyl)benzimidazole
CID 12620886
[4-(5-bromo-1-propylbenzimidazol-2-yl)phenyl]methanamine
CID 60785381
[4-(5-fluoro-1-prop-2-enylbenzimidazol-2-yl)phenyl]methanamine
CID 82332204
(1-propyl-2-pyridin-4-ylbenzimidazol-5-yl)methanamine
CID 65038224
5-methyl-2-phenyl-1-propylbenzimidazole
CID 72721451
5,6-dimethyl-2-(4-methylphenyl)-1-[(4-methylphenyl)methyl]benzimidazole
CID 25128386
2-(4-methylphenyl)-1-propylbenzimidazole-5-carbonitrile
CID 65040444
N-methyl-4-(5-methyl-1-propylbenzimidazol-2-yl)aniline
CID 104698494
[4-(6-chloro-1-ethylbenzimidazol-2-yl)phenyl]methanamine
CID 115472637
[4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenyl]methanamine
CID 60785792

Frequently Asked Questions

What is the IUPAC name of [4-(5-methyl-1-prop-2-ynylbenzimidazol-2-yl)phenyl]methanamine?
The IUPAC name of [4-(5-methyl-1-prop-2-ynylbenzimidazol-2-yl)phenyl]methanamine (CID 82333104) is [4-(5-methyl-1-prop-2-ynylbenzimidazol-2-yl)phenyl]methanamine.
What is the SMILES notation for [4-(5-methyl-1-prop-2-ynylbenzimidazol-2-yl)phenyl]methanamine?
The canonical SMILES for [4-(5-methyl-1-prop-2-ynylbenzimidazol-2-yl)phenyl]methanamine is C#CCn1c(-c2ccc(CN)cc2)nc2cc(C)ccc21.
What is the InChIKey of [4-(5-methyl-1-prop-2-ynylbenzimidazol-2-yl)phenyl]methanamine?
The InChIKey is SSVFSGZHLDTMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3/c1-3-10-21-17-9-4-13(2)11-16(17)20-18(21)15-7-5-14(12-19)6-8-15/h1,4-9,11H,10,12,19H2,2H3.
What are the key properties of [4-(5-methyl-1-prop-2-ynylbenzimidazol-2-yl)phenyl]methanamine?
[4-(5-methyl-1-prop-2-ynylbenzimidazol-2-yl)phenyl]methanamine has a molecular weight of 275.36 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-methyl-1-prop-2-ynylbenzimidazol-2-yl)phenyl]methanamine is sourced from PubChem (CID 82333104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).