N-[(2,4-dichlorophenyl)methyl]-2-methyl-3H-benzimidazol-5-amine

C15H13Cl2N3 — CID 43746405

IUPACN-[(2,4-dichlorophenyl)methyl]-2-methyl-3H-benzimidazol-5-amine
SMILESCc1nc2ccc(NCc3ccc(Cl)cc3Cl)cc2[nH]1
InChIInChI=1S/C15H13Cl2N3/c1-9-19-14-5-4-12(7-15(14)20-9)18-8-10-2-3-11(16)6-13(10)17/h2-7,18H,8H2,1H3,(H,19,20)
InChIKeyNWZPBEUMLWIBRX-UHFFFAOYSA-N
MW306.20 g/mol
LogP4.79
Rot. Bonds3

About N-[(2,4-dichlorophenyl)methyl]-2-methyl-3H-benzimidazol-5-amine

N-[(2,4-dichlorophenyl)methyl]-2-methyl-3H-benzimidazol-5-amine (PubChem CID 43746405) has the molecular formula C15H13Cl2N3 and a molecular weight of 306.20 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-2-methyl-3H-benzimidazol-5-amine.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-2-methyl-3H-benzimidazol-5-amine
PubChem CID43746405
Molecular FormulaC15H13Cl2N3
Molecular Weight306.20 g/mol
Exact Mass305.05
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-2-methyl-3H-benzimidazol-5-amine
SMILESCc1nc2ccc(NCc3ccc(Cl)cc3Cl)cc2[nH]1
InChIInChI=1S/C15H13Cl2N3/c1-9-19-14-5-4-12(7-15(14)20-9)18-8-10-2-3-11(16)6-13(10)17/h2-7,18H,8H2,1H3,(H,19,20)
InChIKeyNWZPBEUMLWIBRX-UHFFFAOYSA-N
XLogP4.79
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-chloro-2-methoxyphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine
CID 61038267
N-[(2-fluoro-5-methylphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine
CID 103818702
4-[[(2-methyl-3H-benzimidazol-5-yl)amino]methyl]benzene-1,3-diol
CID 43746434
N-[(2-ethylphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine
CID 62392283
N-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine
CID 62121977
N-[(2-methoxy-5-methylphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine
CID 43746512
4-[[(2-methyl-3H-benzimidazol-5-yl)amino]methyl]phenol
CID 43746360
N-[(2,4-dichlorophenyl)methyl]-2-methylindazol-5-amine
CID 59514276
2-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-3H-benzimidazol-5-amine
CID 43791200
N-[(2-ethoxyphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine
CID 43746372
N-(furan-3-ylmethyl)-2-methyl-3H-benzimidazol-5-amine
CID 55163006
2-methyl-N-(1,3-thiazol-5-ylmethyl)-3H-benzimidazol-5-amine
CID 62759070

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-methyl-3H-benzimidazol-5-amine?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-methyl-3H-benzimidazol-5-amine (CID 43746405) is N-[(2,4-dichlorophenyl)methyl]-2-methyl-3H-benzimidazol-5-amine.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-2-methyl-3H-benzimidazol-5-amine?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-2-methyl-3H-benzimidazol-5-amine is Cc1nc2ccc(NCc3ccc(Cl)cc3Cl)cc2[nH]1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-2-methyl-3H-benzimidazol-5-amine?
The InChIKey is NWZPBEUMLWIBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3/c1-9-19-14-5-4-12(7-15(14)20-9)18-8-10-2-3-11(16)6-13(10)17/h2-7,18H,8H2,1H3,(H,19,20).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-2-methyl-3H-benzimidazol-5-amine?
N-[(2,4-dichlorophenyl)methyl]-2-methyl-3H-benzimidazol-5-amine has a molecular weight of 306.20 g/mol, XLogP of 4.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-2-methyl-3H-benzimidazol-5-amine is sourced from PubChem (CID 43746405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).