2-(5-chloro-1H-indazol-3-yl)-N-(pyridin-4-ylmethyl)-3H-benzimidazol-5-amine

C20H15ClN6 — CID 135820219

IUPAC2-(5-chloro-1H-indazol-3-yl)-N-(pyridin-4-ylmethyl)-3H-benzimidazol-5-amine
SMILESClc1ccc2[nH]nc(-c3nc4ccc(NCc5ccncc5)cc4[nH]3)c2c1
InChIInChI=1S/C20H15ClN6/c21-13-1-3-16-15(9-13)19(27-26-16)20-24-17-4-2-14(10-18(17)25-20)23-11-12-5-7-22-8-6-12/h1-10,23H,11H2,(H,24,25)(H,26,27)
InChIKeyCHSCJDGOWSIJDL-UHFFFAOYSA-N
MW374.84 g/mol
LogP4.77
Rot. Bonds4

About 2-(5-chloro-1H-indazol-3-yl)-N-(pyridin-4-ylmethyl)-3H-benzimidazol-5-amine

2-(5-chloro-1H-indazol-3-yl)-N-(pyridin-4-ylmethyl)-3H-benzimidazol-5-amine (PubChem CID 135820219) has the molecular formula C20H15ClN6 and a molecular weight of 374.84 g/mol. Its IUPAC name is 2-(5-chloro-1H-indazol-3-yl)-N-(pyridin-4-ylmethyl)-3H-benzimidazol-5-amine.

Molecular Properties

Compound Name2-(5-chloro-1H-indazol-3-yl)-N-(pyridin-4-ylmethyl)-3H-benzimidazol-5-amine
PubChem CID135820219
Molecular FormulaC20H15ClN6
Molecular Weight374.84 g/mol
Exact Mass374.10
IUPAC Name2-(5-chloro-1H-indazol-3-yl)-N-(pyridin-4-ylmethyl)-3H-benzimidazol-5-amine
SMILESClc1ccc2[nH]nc(-c3nc4ccc(NCc5ccncc5)cc4[nH]3)c2c1
InChIInChI=1S/C20H15ClN6/c21-13-1-3-16-15(9-13)19(27-26-16)20-24-17-4-2-14(10-18(17)25-20)23-11-12-5-7-22-8-6-12/h1-10,23H,11H2,(H,24,25)(H,26,27)
InChIKeyCHSCJDGOWSIJDL-UHFFFAOYSA-N
XLogP4.77
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.84
LogP ≤ 54.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(5-chloro-1H-indazol-3-yl)-N-(pyridin-4-ylmethyl)-3H-benzimidazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-bromo-1H-indazol-3-yl)-N-(pyridin-4-ylmethyl)-3H-benzimidazol-5-amine
CID 135820181
2-(6-chloro-1H-indazol-3-yl)-N-(2-pyridin-2-ylethyl)-3H-benzimidazol-5-amine
CID 135819880
2-(5-fluoro-1H-indazol-3-yl)-N-(2-pyridin-3-ylethyl)-3H-benzimidazol-5-amine
CID 135820349
2-tert-butyl-N-(pyridin-4-ylmethyl)-3H-benzimidazol-5-amine
CID 28714219
2-(5-methoxy-1H-indazol-3-yl)-N-(pyridin-2-ylmethyl)-3H-benzimidazol-5-amine
CID 135820215
2-(6-chloro-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridine
CID 135820027
2-(6-fluoro-1H-indazol-3-yl)-N-(pyridin-2-ylmethyl)-3H-benzimidazol-5-amine
CID 135820020
N-[(3,4-dimethoxyphenyl)methyl]-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-amine
CID 135819915
2-(5-ethoxy-1H-indazol-3-yl)-N-(3-imidazol-1-ylpropyl)-3H-benzimidazol-5-amine
CID 135820037
N-(3-imidazol-1-ylpropyl)-2-(5-propan-2-yloxy-1H-indazol-3-yl)-3H-benzimidazol-5-amine
CID 135820421
5-N-[[4-(5-chloro-2-pyridinyl)phenyl]methyl]-3H-benzimidazole-2,5-diamine
CID 118858449
4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-N-benzylisoquinolin-8-amine
CID 135453498

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1H-indazol-3-yl)-N-(pyridin-4-ylmethyl)-3H-benzimidazol-5-amine?
The IUPAC name of 2-(5-chloro-1H-indazol-3-yl)-N-(pyridin-4-ylmethyl)-3H-benzimidazol-5-amine (CID 135820219) is 2-(5-chloro-1H-indazol-3-yl)-N-(pyridin-4-ylmethyl)-3H-benzimidazol-5-amine.
What is the SMILES notation for 2-(5-chloro-1H-indazol-3-yl)-N-(pyridin-4-ylmethyl)-3H-benzimidazol-5-amine?
The canonical SMILES for 2-(5-chloro-1H-indazol-3-yl)-N-(pyridin-4-ylmethyl)-3H-benzimidazol-5-amine is Clc1ccc2[nH]nc(-c3nc4ccc(NCc5ccncc5)cc4[nH]3)c2c1.
What is the InChIKey of 2-(5-chloro-1H-indazol-3-yl)-N-(pyridin-4-ylmethyl)-3H-benzimidazol-5-amine?
The InChIKey is CHSCJDGOWSIJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN6/c21-13-1-3-16-15(9-13)19(27-26-16)20-24-17-4-2-14(10-18(17)25-20)23-11-12-5-7-22-8-6-12/h1-10,23H,11H2,(H,24,25)(H,26,27).
What are the key properties of 2-(5-chloro-1H-indazol-3-yl)-N-(pyridin-4-ylmethyl)-3H-benzimidazol-5-amine?
2-(5-chloro-1H-indazol-3-yl)-N-(pyridin-4-ylmethyl)-3H-benzimidazol-5-amine has a molecular weight of 374.84 g/mol, XLogP of 4.77, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1H-indazol-3-yl)-N-(pyridin-4-ylmethyl)-3H-benzimidazol-5-amine is sourced from PubChem (CID 135820219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).