N,N-dimethyl-4-(6-methyl-1H-benzimidazol-2-yl)aniline

C16H17N3 — CID 950737

IUPACN,N-dimethyl-4-(6-methyl-1H-benzimidazol-2-yl)aniline
SMILESCc1ccc2nc(-c3ccc(N(C)C)cc3)[nH]c2c1
InChIInChI=1S/C16H17N3/c1-11-4-9-14-15(10-11)18-16(17-14)12-5-7-13(8-6-12)19(2)3/h4-10H,1-3H3,(H,17,18)
InChIKeyDCBQWCSRVVGWAN-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.60
Rot. Bonds2

About N,N-dimethyl-4-(6-methyl-1H-benzimidazol-2-yl)aniline

N,N-dimethyl-4-(6-methyl-1H-benzimidazol-2-yl)aniline (PubChem CID 950737) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N,N-dimethyl-4-(6-methyl-1H-benzimidazol-2-yl)aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-(6-methyl-1H-benzimidazol-2-yl)aniline
PubChem CID950737
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC NameN,N-dimethyl-4-(6-methyl-1H-benzimidazol-2-yl)aniline
SMILESCc1ccc2nc(-c3ccc(N(C)C)cc3)[nH]c2c1
InChIInChI=1S/C16H17N3/c1-11-4-9-14-15(10-11)18-16(17-14)12-5-7-13(8-6-12)19(2)3/h4-10H,1-3H3,(H,17,18)
InChIKeyDCBQWCSRVVGWAN-UHFFFAOYSA-N
XLogP3.60
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

Analyze N,N-dimethyl-4-(6-methyl-1H-benzimidazol-2-yl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(6-methyl-1H-benzimidazol-2-yl)aniline?
The IUPAC name of N,N-dimethyl-4-(6-methyl-1H-benzimidazol-2-yl)aniline (CID 950737) is N,N-dimethyl-4-(6-methyl-1H-benzimidazol-2-yl)aniline.
What is the SMILES notation for N,N-dimethyl-4-(6-methyl-1H-benzimidazol-2-yl)aniline?
The canonical SMILES for N,N-dimethyl-4-(6-methyl-1H-benzimidazol-2-yl)aniline is Cc1ccc2nc(-c3ccc(N(C)C)cc3)[nH]c2c1.
What is the InChIKey of N,N-dimethyl-4-(6-methyl-1H-benzimidazol-2-yl)aniline?
The InChIKey is DCBQWCSRVVGWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-11-4-9-14-15(10-11)18-16(17-14)12-5-7-13(8-6-12)19(2)3/h4-10H,1-3H3,(H,17,18).
What are the key properties of N,N-dimethyl-4-(6-methyl-1H-benzimidazol-2-yl)aniline?
N,N-dimethyl-4-(6-methyl-1H-benzimidazol-2-yl)aniline has a molecular weight of 251.33 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(6-methyl-1H-benzimidazol-2-yl)aniline is sourced from PubChem (CID 950737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).