N,N-bis[(4-methylphenyl)methyl]-3H-benzimidazol-5-amine

C23H23N3 — CID 53496068

IUPACN,N-bis[(4-methylphenyl)methyl]-3H-benzimidazol-5-amine
SMILESCc1ccc(CN(Cc2ccc(C)cc2)c2ccc3nc[nH]c3c2)cc1
InChIInChI=1S/C23H23N3/c1-17-3-7-19(8-4-17)14-26(15-20-9-5-18(2)6-10-20)21-11-12-22-23(13-21)25-16-24-22/h3-13,16H,14-15H2,1-2H3,(H,24,25)
InChIKeyFZXIQDGQTINREM-UHFFFAOYSA-N
MW341.46 g/mol
LogP5.39
Rot. Bonds5

About N,N-bis[(4-methylphenyl)methyl]-3H-benzimidazol-5-amine

N,N-bis[(4-methylphenyl)methyl]-3H-benzimidazol-5-amine (PubChem CID 53496068) has the molecular formula C23H23N3 and a molecular weight of 341.46 g/mol. Its IUPAC name is N,N-bis[(4-methylphenyl)methyl]-3H-benzimidazol-5-amine.

Molecular Properties

Compound NameN,N-bis[(4-methylphenyl)methyl]-3H-benzimidazol-5-amine
PubChem CID53496068
Molecular FormulaC23H23N3
Molecular Weight341.46 g/mol
Exact Mass341.19
IUPAC NameN,N-bis[(4-methylphenyl)methyl]-3H-benzimidazol-5-amine
SMILESCc1ccc(CN(Cc2ccc(C)cc2)c2ccc3nc[nH]c3c2)cc1
InChIInChI=1S/C23H23N3/c1-17-3-7-19(8-4-17)14-26(15-20-9-5-18(2)6-10-20)21-11-12-22-23(13-21)25-16-24-22/h3-13,16H,14-15H2,1-2H3,(H,24,25)
InChIKeyFZXIQDGQTINREM-UHFFFAOYSA-N
XLogP5.39
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.46
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-bis[(4-methylphenyl)methyl]-3H-benzimidazol-5-amine?
The IUPAC name of N,N-bis[(4-methylphenyl)methyl]-3H-benzimidazol-5-amine (CID 53496068) is N,N-bis[(4-methylphenyl)methyl]-3H-benzimidazol-5-amine.
What is the SMILES notation for N,N-bis[(4-methylphenyl)methyl]-3H-benzimidazol-5-amine?
The canonical SMILES for N,N-bis[(4-methylphenyl)methyl]-3H-benzimidazol-5-amine is Cc1ccc(CN(Cc2ccc(C)cc2)c2ccc3nc[nH]c3c2)cc1.
What is the InChIKey of N,N-bis[(4-methylphenyl)methyl]-3H-benzimidazol-5-amine?
The InChIKey is FZXIQDGQTINREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3/c1-17-3-7-19(8-4-17)14-26(15-20-9-5-18(2)6-10-20)21-11-12-22-23(13-21)25-16-24-22/h3-13,16H,14-15H2,1-2H3,(H,24,25).
What are the key properties of N,N-bis[(4-methylphenyl)methyl]-3H-benzimidazol-5-amine?
N,N-bis[(4-methylphenyl)methyl]-3H-benzimidazol-5-amine has a molecular weight of 341.46 g/mol, XLogP of 5.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[(4-methylphenyl)methyl]-3H-benzimidazol-5-amine is sourced from PubChem (CID 53496068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).