2-(7-chloro-1-cyclopropylbenzimidazol-2-yl)-4-methylthiophen-3-amine

C15H14ClN3S — CID 114915468

IUPAC2-(7-chloro-1-cyclopropylbenzimidazol-2-yl)-4-methylthiophen-3-amine
SMILESCc1csc(-c2nc3cccc(Cl)c3n2C2CC2)c1N
InChIInChI=1S/C15H14ClN3S/c1-8-7-20-14(12(8)17)15-18-11-4-2-3-10(16)13(11)19(15)9-5-6-9/h2-4,7,9H,5-6,17H2,1H3
InChIKeyIZAWAQUCXXDUNZ-UHFFFAOYSA-N
MW303.82 g/mol
LogP4.64
Rot. Bonds2

About 2-(7-chloro-1-cyclopropylbenzimidazol-2-yl)-4-methylthiophen-3-amine

2-(7-chloro-1-cyclopropylbenzimidazol-2-yl)-4-methylthiophen-3-amine (PubChem CID 114915468) has the molecular formula C15H14ClN3S and a molecular weight of 303.82 g/mol. Its IUPAC name is 2-(7-chloro-1-cyclopropylbenzimidazol-2-yl)-4-methylthiophen-3-amine.

Molecular Properties

Compound Name2-(7-chloro-1-cyclopropylbenzimidazol-2-yl)-4-methylthiophen-3-amine
PubChem CID114915468
Molecular FormulaC15H14ClN3S
Molecular Weight303.82 g/mol
Exact Mass303.06
IUPAC Name2-(7-chloro-1-cyclopropylbenzimidazol-2-yl)-4-methylthiophen-3-amine
SMILESCc1csc(-c2nc3cccc(Cl)c3n2C2CC2)c1N
InChIInChI=1S/C15H14ClN3S/c1-8-7-20-14(12(8)17)15-18-11-4-2-3-10(16)13(11)19(15)9-5-6-9/h2-4,7,9H,5-6,17H2,1H3
InChIKeyIZAWAQUCXXDUNZ-UHFFFAOYSA-N
XLogP4.64
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.82
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-1-cyclopropylbenzimidazol-2-yl)-4-methylthiophen-3-amine?
The IUPAC name of 2-(7-chloro-1-cyclopropylbenzimidazol-2-yl)-4-methylthiophen-3-amine (CID 114915468) is 2-(7-chloro-1-cyclopropylbenzimidazol-2-yl)-4-methylthiophen-3-amine.
What is the SMILES notation for 2-(7-chloro-1-cyclopropylbenzimidazol-2-yl)-4-methylthiophen-3-amine?
The canonical SMILES for 2-(7-chloro-1-cyclopropylbenzimidazol-2-yl)-4-methylthiophen-3-amine is Cc1csc(-c2nc3cccc(Cl)c3n2C2CC2)c1N.
What is the InChIKey of 2-(7-chloro-1-cyclopropylbenzimidazol-2-yl)-4-methylthiophen-3-amine?
The InChIKey is IZAWAQUCXXDUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3S/c1-8-7-20-14(12(8)17)15-18-11-4-2-3-10(16)13(11)19(15)9-5-6-9/h2-4,7,9H,5-6,17H2,1H3.
What are the key properties of 2-(7-chloro-1-cyclopropylbenzimidazol-2-yl)-4-methylthiophen-3-amine?
2-(7-chloro-1-cyclopropylbenzimidazol-2-yl)-4-methylthiophen-3-amine has a molecular weight of 303.82 g/mol, XLogP of 4.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-1-cyclopropylbenzimidazol-2-yl)-4-methylthiophen-3-amine is sourced from PubChem (CID 114915468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).