N-(5-chloro-1H-pyrrolo[3,2-b]pyridin-3-yl)-6-propan-2-yl-1H-benzimidazol-2-amine

C17H16ClN5 — CID 167428648

IUPACN-(5-chloro-1H-pyrrolo[3,2-b]pyridin-3-yl)-6-propan-2-yl-1H-benzimidazol-2-amine
SMILESCC(C)c1ccc2nc(Nc3c[nH]c4ccc(Cl)nc34)[nH]c2c1
InChIInChI=1S/C17H16ClN5/c1-9(2)10-3-4-11-13(7-10)21-17(20-11)22-14-8-19-12-5-6-15(18)23-16(12)14/h3-9,19H,1-2H3,(H2,20,21,22)
InChIKeyTWGVCZYYBRDRPH-UHFFFAOYSA-N
MW325.80 g/mol
LogP4.96
Rot. Bonds3

About N-(5-chloro-1H-pyrrolo[3,2-b]pyridin-3-yl)-6-propan-2-yl-1H-benzimidazol-2-amine

N-(5-chloro-1H-pyrrolo[3,2-b]pyridin-3-yl)-6-propan-2-yl-1H-benzimidazol-2-amine (PubChem CID 167428648) has the molecular formula C17H16ClN5 and a molecular weight of 325.80 g/mol. Its IUPAC name is N-(5-chloro-1H-pyrrolo[3,2-b]pyridin-3-yl)-6-propan-2-yl-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-(5-chloro-1H-pyrrolo[3,2-b]pyridin-3-yl)-6-propan-2-yl-1H-benzimidazol-2-amine
PubChem CID167428648
Molecular FormulaC17H16ClN5
Molecular Weight325.80 g/mol
Exact Mass325.11
IUPAC NameN-(5-chloro-1H-pyrrolo[3,2-b]pyridin-3-yl)-6-propan-2-yl-1H-benzimidazol-2-amine
SMILESCC(C)c1ccc2nc(Nc3c[nH]c4ccc(Cl)nc34)[nH]c2c1
InChIInChI=1S/C17H16ClN5/c1-9(2)10-3-4-11-13(7-10)21-17(20-11)22-14-8-19-12-5-6-15(18)23-16(12)14/h3-9,19H,1-2H3,(H2,20,21,22)
InChIKeyTWGVCZYYBRDRPH-UHFFFAOYSA-N
XLogP4.96
TPSA69.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 54.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(5-chloro-1H-pyrrolo[3,2-b]pyridin-3-yl)-6-(2-methylprop-1-enyl)-1H-benzimidazol-2-amine
CID 167428583
N-(5-bromo-1H-pyrrolo[3,2-b]pyridin-3-yl)-6-chloro-1H-benzimidazol-2-amine
CID 156865294
N-(5-chloro-1H-pyrrolo[3,2-b]pyridin-3-yl)-5,6-bis(2-methoxyethoxy)-1H-benzimidazol-2-amine
CID 167428637
5,6-dichloro-N-(5-chloro-1H-pyrrolo[3,2-b]pyridin-3-yl)-1-propan-2-ylbenzimidazol-2-amine
CID 167428587
2-[(5-chloro-1H-pyrrolo[3,2-b]pyridin-3-yl)amino]-1H-benzimidazole-4-carbonitrile
CID 167428543
N-(5-bromo-1H-pyrrolo[3,2-b]pyridin-3-yl)-6-[3-(dimethylamino)phenoxy]-1H-benzimidazol-2-amine
CID 167428561
2-methyl-6-propan-2-yl-1H-benzimidazole
CID 21069154
6-chloro-N-(5-chloro-2-methylphenyl)-1H-benzimidazol-2-amine
CID 82562664
CID 162266881
CID 162266881
7-N,7-N-dimethyl-3-N-(6-phenoxy-1H-benzimidazol-2-yl)-1H-pyrrolo[3,2-b]pyridine-3,7-diamine
CID 167428698
1-N,4-N-bis(6-chloro-1H-benzimidazol-2-yl)benzene-1,4-diamine
CID 14688884
N-[2-(6-propan-2-yl-1H-benzimidazol-2-yl)ethyl]propan-1-amine
CID 82331830

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-1H-pyrrolo[3,2-b]pyridin-3-yl)-6-propan-2-yl-1H-benzimidazol-2-amine?
The IUPAC name of N-(5-chloro-1H-pyrrolo[3,2-b]pyridin-3-yl)-6-propan-2-yl-1H-benzimidazol-2-amine (CID 167428648) is N-(5-chloro-1H-pyrrolo[3,2-b]pyridin-3-yl)-6-propan-2-yl-1H-benzimidazol-2-amine.
What is the SMILES notation for N-(5-chloro-1H-pyrrolo[3,2-b]pyridin-3-yl)-6-propan-2-yl-1H-benzimidazol-2-amine?
The canonical SMILES for N-(5-chloro-1H-pyrrolo[3,2-b]pyridin-3-yl)-6-propan-2-yl-1H-benzimidazol-2-amine is CC(C)c1ccc2nc(Nc3c[nH]c4ccc(Cl)nc34)[nH]c2c1.
What is the InChIKey of N-(5-chloro-1H-pyrrolo[3,2-b]pyridin-3-yl)-6-propan-2-yl-1H-benzimidazol-2-amine?
The InChIKey is TWGVCZYYBRDRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5/c1-9(2)10-3-4-11-13(7-10)21-17(20-11)22-14-8-19-12-5-6-15(18)23-16(12)14/h3-9,19H,1-2H3,(H2,20,21,22).
What are the key properties of N-(5-chloro-1H-pyrrolo[3,2-b]pyridin-3-yl)-6-propan-2-yl-1H-benzimidazol-2-amine?
N-(5-chloro-1H-pyrrolo[3,2-b]pyridin-3-yl)-6-propan-2-yl-1H-benzimidazol-2-amine has a molecular weight of 325.80 g/mol, XLogP of 4.96, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-1H-pyrrolo[3,2-b]pyridin-3-yl)-6-propan-2-yl-1H-benzimidazol-2-amine is sourced from PubChem (CID 167428648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).