1-[(4,5-dimethylthiophen-2-yl)methyl]-2-propylbenzimidazol-5-amine

C17H21N3S — CID 65245608

IUPAC1-[(4,5-dimethylthiophen-2-yl)methyl]-2-propylbenzimidazol-5-amine
SMILESCCCc1nc2cc(N)ccc2n1Cc1cc(C)c(C)s1
InChIInChI=1S/C17H21N3S/c1-4-5-17-19-15-9-13(18)6-7-16(15)20(17)10-14-8-11(2)12(3)21-14/h6-9H,4-5,10,18H2,1-3H3
InChIKeyVGCOEAMTCHUXOV-UHFFFAOYSA-N
MW299.44 g/mol
LogP4.30
Rot. Bonds4

About 1-[(4,5-dimethylthiophen-2-yl)methyl]-2-propylbenzimidazol-5-amine

1-[(4,5-dimethylthiophen-2-yl)methyl]-2-propylbenzimidazol-5-amine (PubChem CID 65245608) has the molecular formula C17H21N3S and a molecular weight of 299.44 g/mol. Its IUPAC name is 1-[(4,5-dimethylthiophen-2-yl)methyl]-2-propylbenzimidazol-5-amine.

Molecular Properties

Compound Name1-[(4,5-dimethylthiophen-2-yl)methyl]-2-propylbenzimidazol-5-amine
PubChem CID65245608
Molecular FormulaC17H21N3S
Molecular Weight299.44 g/mol
Exact Mass299.15
IUPAC Name1-[(4,5-dimethylthiophen-2-yl)methyl]-2-propylbenzimidazol-5-amine
SMILESCCCc1nc2cc(N)ccc2n1Cc1cc(C)c(C)s1
InChIInChI=1S/C17H21N3S/c1-4-5-17-19-15-9-13(18)6-7-16(15)20(17)10-14-8-11(2)12(3)21-14/h6-9H,4-5,10,18H2,1-3H3
InChIKeyVGCOEAMTCHUXOV-UHFFFAOYSA-N
XLogP4.30
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(4,5-dimethylthiophen-2-yl)methyl]-5-fluorobenzimidazol-2-amine
CID 65245395
1-[2-(dimethylamino)ethyl]-2-propylbenzimidazol-5-amine
CID 55080071
3-(5-amino-2-propylbenzimidazol-1-yl)-2,2-dimethylpropan-1-ol
CID 115363216
2-propyl-1-(2-pyridin-4-ylethyl)benzimidazol-5-amine
CID 62506716
1-(2-methyl-3-methylsulfanylpropyl)-2-propylbenzimidazol-5-amine
CID 63959143
1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-propylbenzimidazol-5-amine
CID 80690550
4-chloro-2-(2-chloroethyl)-1-[(4,5-dimethylthiophen-2-yl)methyl]benzimidazole
CID 104838317
2-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-5-amine
CID 106408016
(2R)-2-(5-amino-2-propylbenzimidazol-1-yl)-3-methylbutan-1-ol
CID 79244373
1-[(2-methylthiolan-2-yl)methyl]-2-propylbenzimidazol-5-amine
CID 80724306
1-(5-bromo-2-methylphenyl)-2-propylbenzimidazol-5-amine
CID 63495966
1-(5-chloro-2-methylphenyl)-2-propylbenzimidazol-5-amine
CID 63497224

Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-dimethylthiophen-2-yl)methyl]-2-propylbenzimidazol-5-amine?
The IUPAC name of 1-[(4,5-dimethylthiophen-2-yl)methyl]-2-propylbenzimidazol-5-amine (CID 65245608) is 1-[(4,5-dimethylthiophen-2-yl)methyl]-2-propylbenzimidazol-5-amine.
What is the SMILES notation for 1-[(4,5-dimethylthiophen-2-yl)methyl]-2-propylbenzimidazol-5-amine?
The canonical SMILES for 1-[(4,5-dimethylthiophen-2-yl)methyl]-2-propylbenzimidazol-5-amine is CCCc1nc2cc(N)ccc2n1Cc1cc(C)c(C)s1.
What is the InChIKey of 1-[(4,5-dimethylthiophen-2-yl)methyl]-2-propylbenzimidazol-5-amine?
The InChIKey is VGCOEAMTCHUXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3S/c1-4-5-17-19-15-9-13(18)6-7-16(15)20(17)10-14-8-11(2)12(3)21-14/h6-9H,4-5,10,18H2,1-3H3.
What are the key properties of 1-[(4,5-dimethylthiophen-2-yl)methyl]-2-propylbenzimidazol-5-amine?
1-[(4,5-dimethylthiophen-2-yl)methyl]-2-propylbenzimidazol-5-amine has a molecular weight of 299.44 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-dimethylthiophen-2-yl)methyl]-2-propylbenzimidazol-5-amine is sourced from PubChem (CID 65245608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).