N'-[2-(1H-benzimidazol-2-yl)phenyl]-2-chloroethanimidamide

C15H13ClN4 — CID 169365402

IUPACN'-[2-(1H-benzimidazol-2-yl)phenyl]-2-chloroethanimidamide
SMILESN/C(CCl)=N/c1ccccc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C15H13ClN4/c16-9-14(17)18-11-6-2-1-5-10(11)15-19-12-7-3-4-8-13(12)20-15/h1-8H,9H2,(H2,17,18)(H,19,20)
InChIKeyKOBJEBLVNPYQCM-UHFFFAOYSA-N
MW284.75 g/mol
LogP3.46
Rot. Bonds3

About N'-[2-(1H-benzimidazol-2-yl)phenyl]-2-chloroethanimidamide

N'-[2-(1H-benzimidazol-2-yl)phenyl]-2-chloroethanimidamide (PubChem CID 169365402) has the molecular formula C15H13ClN4 and a molecular weight of 284.75 g/mol. Its IUPAC name is N'-[2-(1H-benzimidazol-2-yl)phenyl]-2-chloroethanimidamide.

Molecular Properties

Compound NameN'-[2-(1H-benzimidazol-2-yl)phenyl]-2-chloroethanimidamide
PubChem CID169365402
Molecular FormulaC15H13ClN4
Molecular Weight284.75 g/mol
Exact Mass284.08
IUPAC NameN'-[2-(1H-benzimidazol-2-yl)phenyl]-2-chloroethanimidamide
SMILESN/C(CCl)=N/c1ccccc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C15H13ClN4/c16-9-14(17)18-11-6-2-1-5-10(11)15-19-12-7-3-4-8-13(12)20-15/h1-8H,9H2,(H2,17,18)(H,19,20)
InChIKeyKOBJEBLVNPYQCM-UHFFFAOYSA-N
XLogP3.46
TPSA67.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 53.46
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-(1H-benzimidazol-2-yl)benzamide
CID 23510026
(1Z,3E)-5-[2-(1H-benzimidazol-2-yl)phenyl]iminopenta-1,3-dien-1-amine
CID 121287803
2-(1H-benzimidazol-2-yl)aniline;dihydrochloride
CID 133057606
2-[2-(2,3-dichlorophenyl)phenyl]-1H-benzimidazole
CID 134336861
bis(2-(1H-benzimidazol-2-yl)phenolate);cobalt(2+)
CID 139068471
copper bis(2-(1H-benzimidazol-2-yl)phenolate)
CID 134105250
2-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1-(diaminomethylidene)guanidine
CID 168602636
2-[[2-(1H-benzimidazol-2-yl)phenyl]iminomethyl]-4-bromophenol
CID 5140596
N-[2-(1H-benzimidazol-2-yl)phenyl]-1-pyridin-3-ylmethanimine
CID 917406
2,6-bis(1H-benzimidazol-2-yl)-4-[3,5-bis(1H-benzimidazol-2-yl)-4-hydroxyphenyl]phenol
CID 139797671
2-[2-(1H-benzimidazol-2-ylmethyl)phenyl]-1H-benzimidazole
CID 86342200
2-[2-[5-[2-(1H-benzimidazol-2-yl)phenoxy]pentoxy]phenyl]-1H-benzimidazole
CID 25255578

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1H-benzimidazol-2-yl)phenyl]-2-chloroethanimidamide?
The IUPAC name of N'-[2-(1H-benzimidazol-2-yl)phenyl]-2-chloroethanimidamide (CID 169365402) is N'-[2-(1H-benzimidazol-2-yl)phenyl]-2-chloroethanimidamide.
What is the SMILES notation for N'-[2-(1H-benzimidazol-2-yl)phenyl]-2-chloroethanimidamide?
The canonical SMILES for N'-[2-(1H-benzimidazol-2-yl)phenyl]-2-chloroethanimidamide is N/C(CCl)=N/c1ccccc1-c1nc2ccccc2[nH]1.
What is the InChIKey of N'-[2-(1H-benzimidazol-2-yl)phenyl]-2-chloroethanimidamide?
The InChIKey is KOBJEBLVNPYQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4/c16-9-14(17)18-11-6-2-1-5-10(11)15-19-12-7-3-4-8-13(12)20-15/h1-8H,9H2,(H2,17,18)(H,19,20).
What are the key properties of N'-[2-(1H-benzimidazol-2-yl)phenyl]-2-chloroethanimidamide?
N'-[2-(1H-benzimidazol-2-yl)phenyl]-2-chloroethanimidamide has a molecular weight of 284.75 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1H-benzimidazol-2-yl)phenyl]-2-chloroethanimidamide is sourced from PubChem (CID 169365402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).