N-(1H-benzimidazol-2-yl)-6-chloro-2-methylquinazolin-4-amine

C16H12ClN5 — CID 25167649

IUPACN-(1H-benzimidazol-2-yl)-6-chloro-2-methylquinazolin-4-amine
SMILESCc1nc(Nc2nc3ccccc3[nH]2)c2cc(Cl)ccc2n1
InChIInChI=1S/C16H12ClN5/c1-9-18-12-7-6-10(17)8-11(12)15(19-9)22-16-20-13-4-2-3-5-14(13)21-16/h2-8H,1H3,(H2,18,19,20,21,22)
InChIKeyODYLJSHYUJDBRU-UHFFFAOYSA-N
MW309.76 g/mol
LogP4.21
Rot. Bonds2

About N-(1H-benzimidazol-2-yl)-6-chloro-2-methylquinazolin-4-amine

N-(1H-benzimidazol-2-yl)-6-chloro-2-methylquinazolin-4-amine (PubChem CID 25167649) has the molecular formula C16H12ClN5 and a molecular weight of 309.76 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-6-chloro-2-methylquinazolin-4-amine.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-6-chloro-2-methylquinazolin-4-amine
PubChem CID25167649
Molecular FormulaC16H12ClN5
Molecular Weight309.76 g/mol
Exact Mass309.08
IUPAC NameN-(1H-benzimidazol-2-yl)-6-chloro-2-methylquinazolin-4-amine
SMILESCc1nc(Nc2nc3ccccc3[nH]2)c2cc(Cl)ccc2n1
InChIInChI=1S/C16H12ClN5/c1-9-18-12-7-6-10(17)8-11(12)15(19-9)22-16-20-13-4-2-3-5-14(13)21-16/h2-8H,1H3,(H2,18,19,20,21,22)
InChIKeyODYLJSHYUJDBRU-UHFFFAOYSA-N
XLogP4.21
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.76
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-3-methylphenyl)-1H-benzimidazol-2-amine
CID 126502975
6-chloro-N-(5-chloro-2-methylphenyl)-1H-benzimidazol-2-amine
CID 82562664
N-(3-fluoro-2,4,6-trimethylphenyl)-1H-benzimidazol-2-amine
CID 90942138
1-N,4-N-bis(6-chloro-1H-benzimidazol-2-yl)benzene-1,4-diamine
CID 14688884
N-(2-chlorophenyl)-1H-benzimidazol-2-amine
CID 4088446
N-(2-methylphenyl)-1H-benzimidazol-2-amine
CID 923872
6-chloro-2-[(6-chloro-4-oxo-3H-quinazolin-2-yl)amino]-3H-quinazolin-4-one
CID 135430600
N-[1-(2,4-dichlorophenyl)ethyl]-1H-benzimidazol-2-amine
CID 63535929
N-(2-methylphenyl)-1H-benzimidazol-2-amine;hydrochloride
CID 22288832
N-(3,5-difluorophenyl)-1H-benzimidazol-2-amine
CID 15604437
ethane;N-(4-methylphenyl)-1H-benzimidazol-2-amine
CID 143181783
carbon dioxide;N-(6-chloro-1H-benzimidazol-2-yl)-1-methylbenzimidazol-2-amine
CID 176544013

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-6-chloro-2-methylquinazolin-4-amine?
The IUPAC name of N-(1H-benzimidazol-2-yl)-6-chloro-2-methylquinazolin-4-amine (CID 25167649) is N-(1H-benzimidazol-2-yl)-6-chloro-2-methylquinazolin-4-amine.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-6-chloro-2-methylquinazolin-4-amine?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-6-chloro-2-methylquinazolin-4-amine is Cc1nc(Nc2nc3ccccc3[nH]2)c2cc(Cl)ccc2n1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-6-chloro-2-methylquinazolin-4-amine?
The InChIKey is ODYLJSHYUJDBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN5/c1-9-18-12-7-6-10(17)8-11(12)15(19-9)22-16-20-13-4-2-3-5-14(13)21-16/h2-8H,1H3,(H2,18,19,20,21,22).
What are the key properties of N-(1H-benzimidazol-2-yl)-6-chloro-2-methylquinazolin-4-amine?
N-(1H-benzimidazol-2-yl)-6-chloro-2-methylquinazolin-4-amine has a molecular weight of 309.76 g/mol, XLogP of 4.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-6-chloro-2-methylquinazolin-4-amine is sourced from PubChem (CID 25167649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).