5-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)pyridin-3-amine

C15H15ClN4 — CID 115473071

IUPAC5-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)pyridin-3-amine
SMILESCC(C)n1c(-c2cncc(N)c2)nc2ccc(Cl)cc21
InChIInChI=1S/C15H15ClN4/c1-9(2)20-14-6-11(16)3-4-13(14)19-15(20)10-5-12(17)8-18-7-10/h3-9H,17H2,1-2H3
InChIKeyPQWALAFAXHYQFF-UHFFFAOYSA-N
MW286.77 g/mol
LogP3.91
Rot. Bonds2

About 5-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)pyridin-3-amine

5-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)pyridin-3-amine (PubChem CID 115473071) has the molecular formula C15H15ClN4 and a molecular weight of 286.77 g/mol. Its IUPAC name is 5-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)pyridin-3-amine.

Molecular Properties

Compound Name5-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)pyridin-3-amine
PubChem CID115473071
Molecular FormulaC15H15ClN4
Molecular Weight286.77 g/mol
Exact Mass286.10
IUPAC Name5-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)pyridin-3-amine
SMILESCC(C)n1c(-c2cncc(N)c2)nc2ccc(Cl)cc21
InChIInChI=1S/C15H15ClN4/c1-9(2)20-14-6-11(16)3-4-13(14)19-15(20)10-5-12(17)8-18-7-10/h3-9H,17H2,1-2H3
InChIKeyPQWALAFAXHYQFF-UHFFFAOYSA-N
XLogP3.91
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.77
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)pyridin-3-ol
CID 115473460
4-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)-3-fluoroaniline
CID 107793667
5-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)pyridin-3-ol
CID 63852215
2-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)-3-methylaniline
CID 115472973
1-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 46310660
5-chloro-2-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)aniline
CID 62376051
3-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)-5-ethylthiophen-2-amine
CID 115473018
4-[(6-chloro-1-propan-2-ylbenzimidazol-2-yl)methyl]aniline
CID 115473043
(6-chloro-1-propan-2-ylbenzimidazol-2-yl)methanamine;dihydrochloride
CID 112758022
3-(1-propan-2-ylbenzimidazol-2-yl)aniline
CID 4605444
4-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-N-methylaniline
CID 104698506
2-amino-4-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)phenol
CID 136872091

Frequently Asked Questions

What is the IUPAC name of 5-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)pyridin-3-amine?
The IUPAC name of 5-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)pyridin-3-amine (CID 115473071) is 5-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)pyridin-3-amine.
What is the SMILES notation for 5-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)pyridin-3-amine?
The canonical SMILES for 5-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)pyridin-3-amine is CC(C)n1c(-c2cncc(N)c2)nc2ccc(Cl)cc21.
What is the InChIKey of 5-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)pyridin-3-amine?
The InChIKey is PQWALAFAXHYQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4/c1-9(2)20-14-6-11(16)3-4-13(14)19-15(20)10-5-12(17)8-18-7-10/h3-9H,17H2,1-2H3.
What are the key properties of 5-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)pyridin-3-amine?
5-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)pyridin-3-amine has a molecular weight of 286.77 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)pyridin-3-amine is sourced from PubChem (CID 115473071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).