6-chloro-N-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-amine

C14H11Cl2N3 — CID 82562708

IUPAC6-chloro-N-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-amine
SMILESClc1ccc(CNc2nc3ccc(Cl)cc3[nH]2)cc1
InChIInChI=1S/C14H11Cl2N3/c15-10-3-1-9(2-4-10)8-17-14-18-12-6-5-11(16)7-13(12)19-14/h1-7H,8H2,(H2,17,18,19)
InChIKeyGCIGUQWSMDZFCE-UHFFFAOYSA-N
MW292.17 g/mol
LogP4.48
Rot. Bonds3

About 6-chloro-N-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-amine

6-chloro-N-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-amine (PubChem CID 82562708) has the molecular formula C14H11Cl2N3 and a molecular weight of 292.17 g/mol. Its IUPAC name is 6-chloro-N-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name6-chloro-N-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-amine
PubChem CID82562708
Molecular FormulaC14H11Cl2N3
Molecular Weight292.17 g/mol
Exact Mass291.03
IUPAC Name6-chloro-N-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-amine
SMILESClc1ccc(CNc2nc3ccc(Cl)cc3[nH]2)cc1
InChIInChI=1S/C14H11Cl2N3/c15-10-3-1-9(2-4-10)8-17-14-18-12-6-5-11(16)7-13(12)19-14/h1-7H,8H2,(H2,17,18,19)
InChIKeyGCIGUQWSMDZFCE-UHFFFAOYSA-N
XLogP4.48
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.17
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-N-(thiophen-3-ylmethyl)-1H-benzimidazol-2-amine
CID 69311089
6-chloro-N-[(2,4-difluorophenyl)methyl]-1H-benzimidazol-2-amine
CID 82564403
6-chloro-N-(2-phenylethyl)-1H-benzimidazol-2-amine
CID 45021337
4-[[(6-amino-1H-benzimidazol-2-yl)amino]methyl]-N-(4-chlorophenyl)benzenesulfonamide
CID 129228404
N-[(4-fluorophenyl)methyl]-6-methyl-1H-benzimidazol-2-amine
CID 110376658
N-[(3,4-difluorophenyl)methyl]-6-methyl-1H-benzimidazol-2-amine
CID 82564325
6-chloro-N-(3-phenylpropyl)-1H-benzimidazol-2-amine
CID 82564399
N-tert-butyl-6-chloro-1H-benzimidazol-2-amine
CID 119086306
1-N,4-N-bis(6-chloro-1H-benzimidazol-2-yl)benzene-1,4-diamine
CID 14688884
N-[(3-chlorophenyl)methyl]-6-methoxy-1H-benzimidazol-2-amine
CID 82564361
2-N-[[4-[(5-chloro-1,3-benzoxazol-2-yl)oxy]phenyl]methyl]-3H-benzimidazole-2,5-diamine
CID 118858571
2-[(3,5-dichlorophenyl)methylamino]-3H-benzimidazole-5-carboxylic acid
CID 82564583

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-amine?
The IUPAC name of 6-chloro-N-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-amine (CID 82562708) is 6-chloro-N-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-amine.
What is the SMILES notation for 6-chloro-N-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-amine?
The canonical SMILES for 6-chloro-N-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-amine is Clc1ccc(CNc2nc3ccc(Cl)cc3[nH]2)cc1.
What is the InChIKey of 6-chloro-N-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-amine?
The InChIKey is GCIGUQWSMDZFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3/c15-10-3-1-9(2-4-10)8-17-14-18-12-6-5-11(16)7-13(12)19-14/h1-7H,8H2,(H2,17,18,19).
What are the key properties of 6-chloro-N-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-amine?
6-chloro-N-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-amine has a molecular weight of 292.17 g/mol, XLogP of 4.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-amine is sourced from PubChem (CID 82562708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).