5-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)thiophen-2-amine

C14H14ClN3S — CID 60786771

IUPAC5-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)thiophen-2-amine
SMILESCC(C)n1c(-c2ccc(N)s2)nc2cccc(Cl)c21
InChIInChI=1S/C14H14ClN3S/c1-8(2)18-13-9(15)4-3-5-10(13)17-14(18)11-6-7-12(16)19-11/h3-8H,16H2,1-2H3
InChIKeyRVIXUIWHLZUORQ-UHFFFAOYSA-N
MW291.81 g/mol
LogP4.58
Rot. Bonds2

About 5-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)thiophen-2-amine

5-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)thiophen-2-amine (PubChem CID 60786771) has the molecular formula C14H14ClN3S and a molecular weight of 291.81 g/mol. Its IUPAC name is 5-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)thiophen-2-amine.

Molecular Properties

Compound Name5-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)thiophen-2-amine
PubChem CID60786771
Molecular FormulaC14H14ClN3S
Molecular Weight291.81 g/mol
Exact Mass291.06
IUPAC Name5-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)thiophen-2-amine
SMILESCC(C)n1c(-c2ccc(N)s2)nc2cccc(Cl)c21
InChIInChI=1S/C14H14ClN3S/c1-8(2)18-13-9(15)4-3-5-10(13)17-14(18)11-6-7-12(16)19-11/h3-8H,16H2,1-2H3
InChIKeyRVIXUIWHLZUORQ-UHFFFAOYSA-N
XLogP4.58
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.81
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)aniline
CID 60788267
2-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-4-methylthiophen-3-amine
CID 114915467
3-chloro-4-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)aniline
CID 61399197
2-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-4-methylaniline
CID 60786773
5-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)thiophen-2-amine
CID 54919687
[4-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-2-pyridinyl]methanamine
CID 114324638
2-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-5-fluorophenol
CID 136789678
(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-cyclopropylmethanamine
CID 55108333
3-amino-3-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)propan-1-ol
CID 61230072
7-chloro-1-(1-thiophen-3-ylethyl)benzimidazol-2-amine
CID 62843686
7-chloro-1-(1-cyclopropylethyl)benzimidazol-2-amine
CID 43662113
7-chloro-1-hexan-3-ylbenzimidazol-2-amine
CID 62117285

Frequently Asked Questions

What is the IUPAC name of 5-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)thiophen-2-amine?
The IUPAC name of 5-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)thiophen-2-amine (CID 60786771) is 5-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)thiophen-2-amine.
What is the SMILES notation for 5-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)thiophen-2-amine?
The canonical SMILES for 5-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)thiophen-2-amine is CC(C)n1c(-c2ccc(N)s2)nc2cccc(Cl)c21.
What is the InChIKey of 5-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)thiophen-2-amine?
The InChIKey is RVIXUIWHLZUORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3S/c1-8(2)18-13-9(15)4-3-5-10(13)17-14(18)11-6-7-12(16)19-11/h3-8H,16H2,1-2H3.
What are the key properties of 5-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)thiophen-2-amine?
5-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)thiophen-2-amine has a molecular weight of 291.81 g/mol, XLogP of 4.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)thiophen-2-amine is sourced from PubChem (CID 60786771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).