N-[(5-chloro-2-methoxyphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine

C16H16ClN3O — CID 61038267

IUPACN-[(5-chloro-2-methoxyphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine
SMILESCOc1ccc(Cl)cc1CNc1ccc2nc(C)[nH]c2c1
InChIInChI=1S/C16H16ClN3O/c1-10-19-14-5-4-13(8-15(14)20-10)18-9-11-7-12(17)3-6-16(11)21-2/h3-8,18H,9H2,1-2H3,(H,19,20)
InChIKeyKLNCBCDIMKAVQN-UHFFFAOYSA-N
MW301.78 g/mol
LogP4.15
Rot. Bonds4

About N-[(5-chloro-2-methoxyphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine

N-[(5-chloro-2-methoxyphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine (PubChem CID 61038267) has the molecular formula C16H16ClN3O and a molecular weight of 301.78 g/mol. Its IUPAC name is N-[(5-chloro-2-methoxyphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine.

Molecular Properties

Compound NameN-[(5-chloro-2-methoxyphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine
PubChem CID61038267
Molecular FormulaC16H16ClN3O
Molecular Weight301.78 g/mol
Exact Mass301.10
IUPAC NameN-[(5-chloro-2-methoxyphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine
SMILESCOc1ccc(Cl)cc1CNc1ccc2nc(C)[nH]c2c1
InChIInChI=1S/C16H16ClN3O/c1-10-19-14-5-4-13(8-15(14)20-10)18-9-11-7-12(17)3-6-16(11)21-2/h3-8,18H,9H2,1-2H3,(H,19,20)
InChIKeyKLNCBCDIMKAVQN-UHFFFAOYSA-N
XLogP4.15
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methoxy-5-methylphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine
CID 43746512
N-[(2,4-dichlorophenyl)methyl]-2-methyl-3H-benzimidazol-5-amine
CID 43746405
N-[(2-fluoro-5-methylphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine
CID 103818702
N-[(5-chloro-2-methoxyphenyl)methyl]-3,4-difluoroaniline
CID 43410818
N-[(2-ethoxyphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine
CID 43746372
3-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]aniline
CID 43410779
N-[(2-ethylphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine
CID 62392283
4-[[(2-methyl-3H-benzimidazol-5-yl)amino]methyl]benzene-1,3-diol
CID 43746434
N-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine
CID 62121977
3-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-4-nitroaniline
CID 82862816
3-bromo-N-[(5-chloro-2-methoxyphenyl)methyl]-5-methylaniline
CID 107582300
4-[[(2-methyl-3H-benzimidazol-5-yl)amino]methyl]phenol
CID 43746360

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine?
The IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine (CID 61038267) is N-[(5-chloro-2-methoxyphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine.
What is the SMILES notation for N-[(5-chloro-2-methoxyphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine?
The canonical SMILES for N-[(5-chloro-2-methoxyphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine is COc1ccc(Cl)cc1CNc1ccc2nc(C)[nH]c2c1.
What is the InChIKey of N-[(5-chloro-2-methoxyphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine?
The InChIKey is KLNCBCDIMKAVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O/c1-10-19-14-5-4-13(8-15(14)20-10)18-9-11-7-12(17)3-6-16(11)21-2/h3-8,18H,9H2,1-2H3,(H,19,20).
What are the key properties of N-[(5-chloro-2-methoxyphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine?
N-[(5-chloro-2-methoxyphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine has a molecular weight of 301.78 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-methoxyphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine is sourced from PubChem (CID 61038267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).