N-[(4-chlorophenyl)methyl]-10-methylbenzimidazolo[1,2-c]quinazolin-6-amine

C22H17ClN4 — CID 24740909

IUPACN-[(4-chlorophenyl)methyl]-10-methylbenzimidazolo[1,2-c]quinazolin-6-amine
SMILESCc1ccc2c(c1)nc1c3ccccc3nc(NCc3ccc(Cl)cc3)n21
InChIInChI=1S/C22H17ClN4/c1-14-6-11-20-19(12-14)25-21-17-4-2-3-5-18(17)26-22(27(20)21)24-13-15-7-9-16(23)10-8-15/h2-12H,13H2,1H3,(H,24,26)
InChIKeyFRWWRZPIQGEHLT-UHFFFAOYSA-N
MW372.86 g/mol
LogP5.61
Rot. Bonds3

About N-[(4-chlorophenyl)methyl]-10-methylbenzimidazolo[1,2-c]quinazolin-6-amine

N-[(4-chlorophenyl)methyl]-10-methylbenzimidazolo[1,2-c]quinazolin-6-amine (PubChem CID 24740909) has the molecular formula C22H17ClN4 and a molecular weight of 372.86 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-10-methylbenzimidazolo[1,2-c]quinazolin-6-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-10-methylbenzimidazolo[1,2-c]quinazolin-6-amine
PubChem CID24740909
Molecular FormulaC22H17ClN4
Molecular Weight372.86 g/mol
Exact Mass372.11
IUPAC NameN-[(4-chlorophenyl)methyl]-10-methylbenzimidazolo[1,2-c]quinazolin-6-amine
SMILESCc1ccc2c(c1)nc1c3ccccc3nc(NCc3ccc(Cl)cc3)n21
InChIInChI=1S/C22H17ClN4/c1-14-6-11-20-19(12-14)25-21-17-4-2-3-5-18(17)26-22(27(20)21)24-13-15-7-9-16(23)10-8-15/h2-12H,13H2,1H3,(H,24,26)
InChIKeyFRWWRZPIQGEHLT-UHFFFAOYSA-N
XLogP5.61
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.86
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-1-ethylbenzimidazol-2-amine
CID 7013067
4-N-[(4-chlorophenyl)methyl]-2-N-methylquinazoline-2,4-diamine
CID 80750131
N-benzyl-8-chloro-3-(2-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine
CID 46063280
N-benzyl-8-chloro-3-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine
CID 46063256
6-tert-butyl-3-methylbenzimidazolo[1,2-c]quinazoline
CID 70651848
12,18-dimethyl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene
CID 143996049
1-methyl-2-N-[(4-methylphenyl)methyl]benzimidazole-2,5-diamine
CID 59674118
N-benzyl-1,8-dimethylimidazo[1,2-a]quinoxalin-4-amine
CID 166416021
10-[2-[3,5-bis[2-(6-tert-butylbenzimidazolo[1,2-c]quinazolin-10-yl)phenyl]phenyl]phenyl]-6-tert-butylbenzimidazolo[1,2-c]quinazoline
CID 134191334
N-benzyl-3-cyclopropyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine
CID 42864660
butane;6-tert-butyl-9,10-dimethylbenzimidazolo[1,2-c]quinazoline;ethane
CID 144768129
N-[(4-chlorophenyl)methyl]-2-(2-methyl-3-pyridinyl)quinazolin-4-amine
CID 172698889

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-10-methylbenzimidazolo[1,2-c]quinazolin-6-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-10-methylbenzimidazolo[1,2-c]quinazolin-6-amine (CID 24740909) is N-[(4-chlorophenyl)methyl]-10-methylbenzimidazolo[1,2-c]quinazolin-6-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-10-methylbenzimidazolo[1,2-c]quinazolin-6-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-10-methylbenzimidazolo[1,2-c]quinazolin-6-amine is Cc1ccc2c(c1)nc1c3ccccc3nc(NCc3ccc(Cl)cc3)n21.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-10-methylbenzimidazolo[1,2-c]quinazolin-6-amine?
The InChIKey is FRWWRZPIQGEHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN4/c1-14-6-11-20-19(12-14)25-21-17-4-2-3-5-18(17)26-22(27(20)21)24-13-15-7-9-16(23)10-8-15/h2-12H,13H2,1H3,(H,24,26).
What are the key properties of N-[(4-chlorophenyl)methyl]-10-methylbenzimidazolo[1,2-c]quinazolin-6-amine?
N-[(4-chlorophenyl)methyl]-10-methylbenzimidazolo[1,2-c]quinazolin-6-amine has a molecular weight of 372.86 g/mol, XLogP of 5.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-10-methylbenzimidazolo[1,2-c]quinazolin-6-amine is sourced from PubChem (CID 24740909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).