N-[(3-chlorophenyl)methyl]-6-methoxy-1H-benzimidazol-2-amine

C15H14ClN3O — CID 82564361

IUPACN-[(3-chlorophenyl)methyl]-6-methoxy-1H-benzimidazol-2-amine
SMILESCOc1ccc2nc(NCc3cccc(Cl)c3)[nH]c2c1
InChIInChI=1S/C15H14ClN3O/c1-20-12-5-6-13-14(8-12)19-15(18-13)17-9-10-3-2-4-11(16)7-10/h2-8H,9H2,1H3,(H2,17,18,19)
InChIKeyZWCWHHZDLNSJTQ-UHFFFAOYSA-N
MW287.75 g/mol
LogP3.84
Rot. Bonds4

About N-[(3-chlorophenyl)methyl]-6-methoxy-1H-benzimidazol-2-amine

N-[(3-chlorophenyl)methyl]-6-methoxy-1H-benzimidazol-2-amine (PubChem CID 82564361) has the molecular formula C15H14ClN3O and a molecular weight of 287.75 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-6-methoxy-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-6-methoxy-1H-benzimidazol-2-amine
PubChem CID82564361
Molecular FormulaC15H14ClN3O
Molecular Weight287.75 g/mol
Exact Mass287.08
IUPAC NameN-[(3-chlorophenyl)methyl]-6-methoxy-1H-benzimidazol-2-amine
SMILESCOc1ccc2nc(NCc3cccc(Cl)c3)[nH]c2c1
InChIInChI=1S/C15H14ClN3O/c1-20-12-5-6-13-14(8-12)19-15(18-13)17-9-10-3-2-4-11(16)7-10/h2-8H,9H2,1H3,(H2,17,18,19)
InChIKeyZWCWHHZDLNSJTQ-UHFFFAOYSA-N
XLogP3.84
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-amine
CID 82562708
N-(2,3-dichlorophenyl)-6-methoxy-1H-benzimidazol-2-amine
CID 82562590
6-methoxy-N-methyl-1H-benzimidazol-2-amine
CID 82562601
methyl 2-[(6-methoxy-1H-benzimidazol-2-yl)amino]acetate
CID 82562607
2-[(6-methoxy-1H-benzimidazol-2-yl)amino]acetic acid
CID 82562608
N-[[3-[(1H-benzimidazol-2-ylamino)methyl]phenyl]methyl]-1H-benzimidazol-2-amine
CID 101271136
6-methoxy-N-(3-methoxyphenyl)-1H-benzimidazol-2-amine
CID 82562561
6-methoxy-N-[(1,4,5,8-tetramethoxynaphthalen-2-yl)methyl]-1H-benzimidazol-2-amine
CID 129189179
2-[(3,5-dichlorophenyl)methylamino]-3H-benzimidazole-5-carboxylic acid
CID 82564583
N-[(3-chloro-4-fluorophenyl)methyl]-5,6-dimethoxy-1H-benzimidazol-2-amine
CID 82564535
ethyl 2-[(3,5-dichlorophenyl)methylamino]-3H-benzimidazole-5-carboxylate
CID 82564622
6-methoxy-2-[(3-methoxyphenyl)methyl]-1H-benzimidazole
CID 65017876

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-6-methoxy-1H-benzimidazol-2-amine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-6-methoxy-1H-benzimidazol-2-amine (CID 82564361) is N-[(3-chlorophenyl)methyl]-6-methoxy-1H-benzimidazol-2-amine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-6-methoxy-1H-benzimidazol-2-amine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-6-methoxy-1H-benzimidazol-2-amine is COc1ccc2nc(NCc3cccc(Cl)c3)[nH]c2c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-6-methoxy-1H-benzimidazol-2-amine?
The InChIKey is ZWCWHHZDLNSJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O/c1-20-12-5-6-13-14(8-12)19-15(18-13)17-9-10-3-2-4-11(16)7-10/h2-8H,9H2,1H3,(H2,17,18,19).
What are the key properties of N-[(3-chlorophenyl)methyl]-6-methoxy-1H-benzimidazol-2-amine?
N-[(3-chlorophenyl)methyl]-6-methoxy-1H-benzimidazol-2-amine has a molecular weight of 287.75 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-6-methoxy-1H-benzimidazol-2-amine is sourced from PubChem (CID 82564361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).