5-chloro-4-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)pyridin-2-amine

C16H17ClN4 — CID 171659655

IUPAC5-chloro-4-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)pyridin-2-amine
SMILESCc1nc2cc(-c3cc(N)ncc3Cl)ccc2n1C(C)C
InChIInChI=1S/C16H17ClN4/c1-9(2)21-10(3)20-14-6-11(4-5-15(14)21)12-7-16(18)19-8-13(12)17/h4-9H,1-3H3,(H2,18,19)
InChIKeyYVJMJBHDRVAEAQ-UHFFFAOYSA-N
MW300.79 g/mol
LogP4.22
Rot. Bonds2

About 5-chloro-4-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)pyridin-2-amine

5-chloro-4-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)pyridin-2-amine (PubChem CID 171659655) has the molecular formula C16H17ClN4 and a molecular weight of 300.79 g/mol. Its IUPAC name is 5-chloro-4-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-4-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)pyridin-2-amine
PubChem CID171659655
Molecular FormulaC16H17ClN4
Molecular Weight300.79 g/mol
Exact Mass300.11
IUPAC Name5-chloro-4-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)pyridin-2-amine
SMILESCc1nc2cc(-c3cc(N)ncc3Cl)ccc2n1C(C)C
InChIInChI=1S/C16H17ClN4/c1-9(2)21-10(3)20-14-6-11(4-5-15(14)21)12-7-16(18)19-8-13(12)17/h4-9H,1-3H3,(H2,18,19)
InChIKeyYVJMJBHDRVAEAQ-UHFFFAOYSA-N
XLogP4.22
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyridin-2-amine
CID 171660900
5-(2,5-dichloro-4-pyridinyl)-2-methyl-3-propan-2-ylimidazo[4,5-b]pyridine
CID 146232496
5-chloro-4-phenylpyridin-2-amine
CID 53485508
3-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)-1,2-oxazole-5-carboxylic acid
CID 117459342
6-fluoro-2-methyl-1-propan-2-ylbenzimidazol-5-amine
CID 83833773
4-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)butan-1-amine
CID 96675145
O-[2-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)ethyl]hydroxylamine
CID 117338878
5-chloro-4-(6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl)pyridin-2-amine
CID 171660091
1-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)propan-2-ol
CID 117336784
[2-(3-chloro-4-pyridinyl)-1-propan-2-ylbenzimidazol-5-yl]methanamine
CID 66473098
2-amino-4-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)phenol
CID 136872091
3,5-dichloro-4-(2-methyl-3-propan-2-ylbenzimidazol-5-yl)oxyaniline
CID 167581422

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)pyridin-2-amine?
The IUPAC name of 5-chloro-4-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)pyridin-2-amine (CID 171659655) is 5-chloro-4-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-4-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)pyridin-2-amine?
The canonical SMILES for 5-chloro-4-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)pyridin-2-amine is Cc1nc2cc(-c3cc(N)ncc3Cl)ccc2n1C(C)C.
What is the InChIKey of 5-chloro-4-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)pyridin-2-amine?
The InChIKey is YVJMJBHDRVAEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4/c1-9(2)21-10(3)20-14-6-11(4-5-15(14)21)12-7-16(18)19-8-13(12)17/h4-9H,1-3H3,(H2,18,19).
What are the key properties of 5-chloro-4-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)pyridin-2-amine?
5-chloro-4-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)pyridin-2-amine has a molecular weight of 300.79 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)pyridin-2-amine is sourced from PubChem (CID 171659655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).