2-chloro-N'-[3-(6-methyl-1H-benzimidazol-2-yl)phenyl]ethanimidamide

C16H15ClN4 — CID 169368338

IUPAC2-chloro-N'-[3-(6-methyl-1H-benzimidazol-2-yl)phenyl]ethanimidamide
SMILESCc1ccc2nc(-c3cccc(/N=C(/N)CCl)c3)[nH]c2c1
InChIInChI=1S/C16H15ClN4/c1-10-5-6-13-14(7-10)21-16(20-13)11-3-2-4-12(8-11)19-15(18)9-17/h2-8H,9H2,1H3,(H2,18,19)(H,20,21)
InChIKeyLCJDKOBLIHYVOG-UHFFFAOYSA-N
MW298.78 g/mol
LogP3.77
Rot. Bonds3

About 2-chloro-N'-[3-(6-methyl-1H-benzimidazol-2-yl)phenyl]ethanimidamide

2-chloro-N'-[3-(6-methyl-1H-benzimidazol-2-yl)phenyl]ethanimidamide (PubChem CID 169368338) has the molecular formula C16H15ClN4 and a molecular weight of 298.78 g/mol. Its IUPAC name is 2-chloro-N'-[3-(6-methyl-1H-benzimidazol-2-yl)phenyl]ethanimidamide.

Molecular Properties

Compound Name2-chloro-N'-[3-(6-methyl-1H-benzimidazol-2-yl)phenyl]ethanimidamide
PubChem CID169368338
Molecular FormulaC16H15ClN4
Molecular Weight298.78 g/mol
Exact Mass298.10
IUPAC Name2-chloro-N'-[3-(6-methyl-1H-benzimidazol-2-yl)phenyl]ethanimidamide
SMILESCc1ccc2nc(-c3cccc(/N=C(/N)CCl)c3)[nH]c2c1
InChIInChI=1S/C16H15ClN4/c1-10-5-6-13-14(7-10)21-16(20-13)11-3-2-4-12(8-11)19-15(18)9-17/h2-8H,9H2,1H3,(H2,18,19)(H,20,21)
InChIKeyLCJDKOBLIHYVOG-UHFFFAOYSA-N
XLogP3.77
TPSA67.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.78
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N'-(2-pyridin-3-yl-3H-benzimidazol-5-yl)ethanimidamide
CID 169368117
6-methyl-2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole
CID 20689909
6-methyl-2-(3-propan-2-yloxyphenyl)-1H-benzimidazole
CID 19224771
N'-[2-(3,4-dichlorophenyl)-3H-benzimidazol-5-yl]ethanimidamide
CID 23085615
[2-(3-methylphenyl)-3H-benzimidazol-5-yl]methanamine
CID 79004545
2-chloro-N'-(3-pyridin-4-ylphenyl)ethanimidamide
CID 169367803
6-methyl-2-[6-(6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole
CID 3532439
2-[2-(4-phenylphenyl)-3H-benzimidazol-5-yl]guanidine
CID 164615291
N-[2-[[3-(6-methyl-1H-benzimidazol-2-yl)phenyl]methylamino]ethyl]acetamide
CID 170535613
6-methyl-2-(3-pyrrolidin-1-ylphenyl)-1H-benzimidazole
CID 168514664
methane;4-(6-methyl-1H-benzimidazol-2-yl)aniline
CID 159476815
ethane;bis(2-methyl-6-[2-(3-methylphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole);bis(2-methyl-6-[2-(4-methylphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole)
CID 158043672

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-[3-(6-methyl-1H-benzimidazol-2-yl)phenyl]ethanimidamide?
The IUPAC name of 2-chloro-N'-[3-(6-methyl-1H-benzimidazol-2-yl)phenyl]ethanimidamide (CID 169368338) is 2-chloro-N'-[3-(6-methyl-1H-benzimidazol-2-yl)phenyl]ethanimidamide.
What is the SMILES notation for 2-chloro-N'-[3-(6-methyl-1H-benzimidazol-2-yl)phenyl]ethanimidamide?
The canonical SMILES for 2-chloro-N'-[3-(6-methyl-1H-benzimidazol-2-yl)phenyl]ethanimidamide is Cc1ccc2nc(-c3cccc(/N=C(/N)CCl)c3)[nH]c2c1.
What is the InChIKey of 2-chloro-N'-[3-(6-methyl-1H-benzimidazol-2-yl)phenyl]ethanimidamide?
The InChIKey is LCJDKOBLIHYVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4/c1-10-5-6-13-14(7-10)21-16(20-13)11-3-2-4-12(8-11)19-15(18)9-17/h2-8H,9H2,1H3,(H2,18,19)(H,20,21).
What are the key properties of 2-chloro-N'-[3-(6-methyl-1H-benzimidazol-2-yl)phenyl]ethanimidamide?
2-chloro-N'-[3-(6-methyl-1H-benzimidazol-2-yl)phenyl]ethanimidamide has a molecular weight of 298.78 g/mol, XLogP of 3.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-[3-(6-methyl-1H-benzimidazol-2-yl)phenyl]ethanimidamide is sourced from PubChem (CID 169368338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).