N-(3-chloro-1-benzofuran-2-yl)-1-phenylbenzimidazol-2-amine

C21H14ClN3O — CID 155006081

IUPACN-(3-chloro-1-benzofuran-2-yl)-1-phenylbenzimidazol-2-amine
SMILESClc1c(Nc2nc3ccccc3n2-c2ccccc2)oc2ccccc12
InChIInChI=1S/C21H14ClN3O/c22-19-15-10-4-7-13-18(15)26-20(19)24-21-23-16-11-5-6-12-17(16)25(21)14-8-2-1-3-9-14/h1-13H,(H,23,24)
InChIKeyBNMYEDFDCNVYDQ-UHFFFAOYSA-N
MW359.82 g/mol
LogP6.17
Rot. Bonds3

About N-(3-chloro-1-benzofuran-2-yl)-1-phenylbenzimidazol-2-amine

N-(3-chloro-1-benzofuran-2-yl)-1-phenylbenzimidazol-2-amine (PubChem CID 155006081) has the molecular formula C21H14ClN3O and a molecular weight of 359.82 g/mol. Its IUPAC name is N-(3-chloro-1-benzofuran-2-yl)-1-phenylbenzimidazol-2-amine.

Molecular Properties

Compound NameN-(3-chloro-1-benzofuran-2-yl)-1-phenylbenzimidazol-2-amine
PubChem CID155006081
Molecular FormulaC21H14ClN3O
Molecular Weight359.82 g/mol
Exact Mass359.08
IUPAC NameN-(3-chloro-1-benzofuran-2-yl)-1-phenylbenzimidazol-2-amine
SMILESClc1c(Nc2nc3ccccc3n2-c2ccccc2)oc2ccccc12
InChIInChI=1S/C21H14ClN3O/c22-19-15-10-4-7-13-18(15)26-20(19)24-21-23-16-11-5-6-12-17(16)25(21)14-8-2-1-3-9-14/h1-13H,(H,23,24)
InChIKeyBNMYEDFDCNVYDQ-UHFFFAOYSA-N
XLogP6.17
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.82
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-1-phenylbenzimidazole
CID 12675133
1-phenyl-2-[4-[4-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]naphthalen-1-yl]benzimidazole
CID 129257071
7-(1-phenylbenzimidazol-2-yl)-[1]benzofuro[2,3-b]carbazole
CID 118502665
N-cyclohexyl-1-phenylbenzimidazol-2-amine
CID 53254471
2-(9-chlorodibenzofuran-2-yl)-1-phenylbenzimidazole
CID 155477397
N-(3-bromo-1-benzofuran-2-yl)-4-(1-phenylbenzimidazol-2-yl)benzamide
CID 170065144
N,1-bis(4-fluorophenyl)benzimidazol-2-amine
CID 71472918
1-phenyl-2-(1-phenylbenzimidazol-2-yl)benzimidazole
CID 44622931
6-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]quinoline
CID 129085901
6-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]quinoline
CID 129086228
1-dibenzofuran-2-yl-2-phenylbenzimidazole
CID 58401031
2-(4-dibenzofuran-4-yl-2,5-dimethylphenyl)-1-phenylbenzimidazole
CID 58309657

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-1-benzofuran-2-yl)-1-phenylbenzimidazol-2-amine?
The IUPAC name of N-(3-chloro-1-benzofuran-2-yl)-1-phenylbenzimidazol-2-amine (CID 155006081) is N-(3-chloro-1-benzofuran-2-yl)-1-phenylbenzimidazol-2-amine.
What is the SMILES notation for N-(3-chloro-1-benzofuran-2-yl)-1-phenylbenzimidazol-2-amine?
The canonical SMILES for N-(3-chloro-1-benzofuran-2-yl)-1-phenylbenzimidazol-2-amine is Clc1c(Nc2nc3ccccc3n2-c2ccccc2)oc2ccccc12.
What is the InChIKey of N-(3-chloro-1-benzofuran-2-yl)-1-phenylbenzimidazol-2-amine?
The InChIKey is BNMYEDFDCNVYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClN3O/c22-19-15-10-4-7-13-18(15)26-20(19)24-21-23-16-11-5-6-12-17(16)25(21)14-8-2-1-3-9-14/h1-13H,(H,23,24).
What are the key properties of N-(3-chloro-1-benzofuran-2-yl)-1-phenylbenzimidazol-2-amine?
N-(3-chloro-1-benzofuran-2-yl)-1-phenylbenzimidazol-2-amine has a molecular weight of 359.82 g/mol, XLogP of 6.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-1-benzofuran-2-yl)-1-phenylbenzimidazol-2-amine is sourced from PubChem (CID 155006081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).