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

C15H16ClN3S — CID 114915467

IUPAC2-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-4-methylthiophen-3-amine
SMILESCc1csc(-c2nc3cccc(Cl)c3n2C(C)C)c1N
InChIInChI=1S/C15H16ClN3S/c1-8(2)19-13-10(16)5-4-6-11(13)18-15(19)14-12(17)9(3)7-20-14/h4-8H,17H2,1-3H3
InChIKeyZZJNVPMSWSHTTO-UHFFFAOYSA-N
MW305.83 g/mol
LogP4.89
Rot. Bonds2

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

2-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-4-methylthiophen-3-amine (PubChem CID 114915467) has the molecular formula C15H16ClN3S and a molecular weight of 305.83 g/mol. Its IUPAC name is 2-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-4-methylthiophen-3-amine.

Molecular Properties

Compound Name2-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-4-methylthiophen-3-amine
PubChem CID114915467
Molecular FormulaC15H16ClN3S
Molecular Weight305.83 g/mol
Exact Mass305.08
IUPAC Name2-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-4-methylthiophen-3-amine
SMILESCc1csc(-c2nc3cccc(Cl)c3n2C(C)C)c1N
InChIInChI=1S/C15H16ClN3S/c1-8(2)19-13-10(16)5-4-6-11(13)18-15(19)14-12(17)9(3)7-20-14/h4-8H,17H2,1-3H3
InChIKeyZZJNVPMSWSHTTO-UHFFFAOYSA-N
XLogP4.89
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.83
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(7-chloro-1-ethylbenzimidazol-2-yl)-4-methylthiophen-3-amine
CID 114915465
2-(7-chloro-1-cyclopropylbenzimidazol-2-yl)-4-methylthiophen-3-amine
CID 114915468
5-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)thiophen-2-amine
CID 60786771
3-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)aniline
CID 60788267
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
[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-(1-thiophen-3-ylethyl)benzimidazol-2-amine
CID 62843686
(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-cyclopropylmethanamine
CID 55108333
4-methyl-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)thiophen-3-amine
CID 114915842
3-amino-3-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)propan-1-ol
CID 61230072

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-4-methylthiophen-3-amine?
The IUPAC name of 2-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-4-methylthiophen-3-amine (CID 114915467) is 2-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-4-methylthiophen-3-amine.
What is the SMILES notation for 2-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-4-methylthiophen-3-amine?
The canonical SMILES for 2-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-4-methylthiophen-3-amine is Cc1csc(-c2nc3cccc(Cl)c3n2C(C)C)c1N.
What is the InChIKey of 2-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-4-methylthiophen-3-amine?
The InChIKey is ZZJNVPMSWSHTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3S/c1-8(2)19-13-10(16)5-4-6-11(13)18-15(19)14-12(17)9(3)7-20-14/h4-8H,17H2,1-3H3.
What are the key properties of 2-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-4-methylthiophen-3-amine?
2-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-4-methylthiophen-3-amine has a molecular weight of 305.83 g/mol, XLogP of 4.89, 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-propan-2-ylbenzimidazol-2-yl)-4-methylthiophen-3-amine is sourced from PubChem (CID 114915467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).