3-(7-chloro-1-propylbenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine

C16H18ClN3S — CID 60788262

IUPAC3-(7-chloro-1-propylbenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine
SMILESCCCn1c(-c2c(N)sc(C)c2C)nc2cccc(Cl)c21
InChIInChI=1S/C16H18ClN3S/c1-4-8-20-14-11(17)6-5-7-12(14)19-16(20)13-9(2)10(3)21-15(13)18/h5-7H,4,8,18H2,1-3H3
InChIKeyWHTGPHRGXPBLKP-UHFFFAOYSA-N
MW319.86 g/mol
LogP5.03
Rot. Bonds3

About 3-(7-chloro-1-propylbenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine

3-(7-chloro-1-propylbenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine (PubChem CID 60788262) has the molecular formula C16H18ClN3S and a molecular weight of 319.86 g/mol. Its IUPAC name is 3-(7-chloro-1-propylbenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine.

Molecular Properties

Compound Name3-(7-chloro-1-propylbenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine
PubChem CID60788262
Molecular FormulaC16H18ClN3S
Molecular Weight319.86 g/mol
Exact Mass319.09
IUPAC Name3-(7-chloro-1-propylbenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine
SMILESCCCn1c(-c2c(N)sc(C)c2C)nc2cccc(Cl)c21
InChIInChI=1S/C16H18ClN3S/c1-4-8-20-14-11(17)6-5-7-12(14)19-16(20)13-9(2)10(3)21-15(13)18/h5-7H,4,8,18H2,1-3H3
InChIKeyWHTGPHRGXPBLKP-UHFFFAOYSA-N
XLogP5.03
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.86
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-2-(4-iodophenyl)-1-propylbenzimidazole
CID 68721057
2-amino-4-(7-chloro-1-propylbenzimidazol-2-yl)phenol
CID 136872106
2-[2-(2-amino-4,5-dimethylthiophen-3-yl)benzimidazol-1-yl]ethanol
CID 60980790
(1S)-1-(7-chloro-1-propylbenzimidazol-2-yl)ethanol
CID 94958068
3-(7-chloro-1-ethylbenzimidazol-2-yl)-5-methylthiophen-2-amine
CID 63618561
2-(4-bromo-3-chlorophenyl)-7-chloro-1-propylbenzimidazole
CID 68720916
7-chloro-2-(5,6-dichloro-3-pyridinyl)-1-propylbenzimidazole
CID 86629817
5-[3-chloro-5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]pyridin-2-amine
CID 68735523
3-(7-chloro-1-ethylbenzimidazol-2-yl)thiophen-2-amine
CID 60786421
2-(7-chloro-1-propylbenzimidazol-2-yl)-1,1,1-trifluoropropan-2-amine
CID 79799186
3-[(7-chloro-1-propylbenzimidazol-2-yl)methyl]aniline
CID 65345825
3-(7-chloro-1-propylbenzimidazol-2-yl)-2-methoxypropan-1-amine
CID 103153975

Frequently Asked Questions

What is the IUPAC name of 3-(7-chloro-1-propylbenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine?
The IUPAC name of 3-(7-chloro-1-propylbenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine (CID 60788262) is 3-(7-chloro-1-propylbenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine.
What is the SMILES notation for 3-(7-chloro-1-propylbenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine?
The canonical SMILES for 3-(7-chloro-1-propylbenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine is CCCn1c(-c2c(N)sc(C)c2C)nc2cccc(Cl)c21.
What is the InChIKey of 3-(7-chloro-1-propylbenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine?
The InChIKey is WHTGPHRGXPBLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3S/c1-4-8-20-14-11(17)6-5-7-12(14)19-16(20)13-9(2)10(3)21-15(13)18/h5-7H,4,8,18H2,1-3H3.
What are the key properties of 3-(7-chloro-1-propylbenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine?
3-(7-chloro-1-propylbenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine has a molecular weight of 319.86 g/mol, XLogP of 5.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-chloro-1-propylbenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine is sourced from PubChem (CID 60788262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).