3-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine

C16H18ClN3S — CID 60785666

IUPAC3-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine
SMILESCc1sc(N)c(-c2nc3cc(Cl)ccc3n2C(C)C)c1C
InChIInChI=1S/C16H18ClN3S/c1-8(2)20-13-6-5-11(17)7-12(13)19-16(20)14-9(3)10(4)21-15(14)18/h5-8H,18H2,1-4H3
InChIKeyCYHBKILBODXYNB-UHFFFAOYSA-N
MW319.86 g/mol
LogP5.20
Rot. Bonds2

About 3-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine

3-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine (PubChem CID 60785666) has the molecular formula C16H18ClN3S and a molecular weight of 319.86 g/mol. Its IUPAC name is 3-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine.

Molecular Properties

Compound Name3-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine
PubChem CID60785666
Molecular FormulaC16H18ClN3S
Molecular Weight319.86 g/mol
Exact Mass319.09
IUPAC Name3-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine
SMILESCc1sc(N)c(-c2nc3cc(Cl)ccc3n2C(C)C)c1C
InChIInChI=1S/C16H18ClN3S/c1-8(2)20-13-6-5-11(17)7-12(13)19-16(20)14-9(3)10(4)21-15(14)18/h5-8H,18H2,1-4H3
InChIKeyCYHBKILBODXYNB-UHFFFAOYSA-N
XLogP5.20
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.86
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-5-ethylthiophen-2-amine
CID 63614173
2-amino-4-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)phenol
CID 136872091
2-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)propan-2-amine
CID 61266514
3-(5-bromo-1-methylbenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine
CID 60783314
4-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-N-methylaniline
CID 104698506
2-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)-3-methylaniline
CID 115472973
4-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-3-methylphenol
CID 136750866
5-chloro-2-[(1S)-1-chloroethyl]-1-propan-2-ylbenzimidazole
CID 93258606
2-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 46310662
5-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)pyridin-3-ol
CID 63852215
2-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine
CID 55105214
3-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)-5-ethylthiophen-2-amine
CID 115473018

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine?
The IUPAC name of 3-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine (CID 60785666) is 3-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine.
What is the SMILES notation for 3-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine?
The canonical SMILES for 3-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine is Cc1sc(N)c(-c2nc3cc(Cl)ccc3n2C(C)C)c1C.
What is the InChIKey of 3-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine?
The InChIKey is CYHBKILBODXYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3S/c1-8(2)20-13-6-5-11(17)7-12(13)19-16(20)14-9(3)10(4)21-15(14)18/h5-8H,18H2,1-4H3.
What are the key properties of 3-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine?
3-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine has a molecular weight of 319.86 g/mol, XLogP of 5.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine is sourced from PubChem (CID 60785666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).