4-(1H-benzimidazol-2-yl)-N,N-diethyl-3-methylaniline

C18H21N3 — CID 168554266

IUPAC4-(1H-benzimidazol-2-yl)-N,N-diethyl-3-methylaniline
SMILESCCN(CC)c1ccc(-c2nc3ccccc3[nH]2)c(C)c1
InChIInChI=1S/C18H21N3/c1-4-21(5-2)14-10-11-15(13(3)12-14)18-19-16-8-6-7-9-17(16)20-18/h6-12H,4-5H2,1-3H3,(H,19,20)
InChIKeyJVNFWYQOIOCWFZ-UHFFFAOYSA-N
MW279.39 g/mol
LogP4.38
Rot. Bonds4

About 4-(1H-benzimidazol-2-yl)-N,N-diethyl-3-methylaniline

4-(1H-benzimidazol-2-yl)-N,N-diethyl-3-methylaniline (PubChem CID 168554266) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-yl)-N,N-diethyl-3-methylaniline.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-yl)-N,N-diethyl-3-methylaniline
PubChem CID168554266
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC Name4-(1H-benzimidazol-2-yl)-N,N-diethyl-3-methylaniline
SMILESCCN(CC)c1ccc(-c2nc3ccccc3[nH]2)c(C)c1
InChIInChI=1S/C18H21N3/c1-4-21(5-2)14-10-11-15(13(3)12-14)18-19-16-8-6-7-9-17(16)20-18/h6-12H,4-5H2,1-3H3,(H,19,20)
InChIKeyJVNFWYQOIOCWFZ-UHFFFAOYSA-N
XLogP4.38
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(1H-benzimidazol-2-yl)-N,N-diethyl-3-methylaniline with MolForge

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

Launch Full Analysis

Related Compounds

2-(2,4-dimethylphenyl)-1H-benzimidazole
CID 17010591
3-(1H-benzimidazol-2-yl)-7-(diethylamino)-1H-quinolin-2-one
CID 147955054
2-(2-methyl-4-propoxyphenyl)-1H-benzimidazole
CID 168553695
2-(4-chloro-2,5-dimethylphenyl)-1H-benzimidazole
CID 168554186
4-(1H-benzimidazol-2-yl)-3-chloro-N,N-dimethylaniline
CID 168555503
2-[4-[bis(2-chloroethyl)amino]-2-methylphenyl]-3H-quinazolin-4-one
CID 168552127
5-(diethylamino)-2-(6-phenoxy-1H-benzimidazol-2-yl)phenol
CID 169273680
2-[2-(1H-benzimidazol-2-yl)-3,4-dimethylphenyl]-1H-benzimidazole
CID 22475730
3-(1H-benzimidazol-2-yl)-7-(diethylamino)chromen-2-one;7-(diethylamino)-3-(1-methylbenzimidazol-2-yl)chromen-2-one
CID 146405991
3-(1H-benzimidazol-2-yl)-N,N-diethyl-2-(4-iodophenyl)iminochromen-7-amine
CID 102431222
2-(1-heptylnaphthalen-2-yl)-1H-benzimidazole
CID 175558327
8-(1H-benzimidazol-2-yl)-3-ethyl-2-methylquinoline
CID 141290230

Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-yl)-N,N-diethyl-3-methylaniline?
The IUPAC name of 4-(1H-benzimidazol-2-yl)-N,N-diethyl-3-methylaniline (CID 168554266) is 4-(1H-benzimidazol-2-yl)-N,N-diethyl-3-methylaniline.
What is the SMILES notation for 4-(1H-benzimidazol-2-yl)-N,N-diethyl-3-methylaniline?
The canonical SMILES for 4-(1H-benzimidazol-2-yl)-N,N-diethyl-3-methylaniline is CCN(CC)c1ccc(-c2nc3ccccc3[nH]2)c(C)c1.
What is the InChIKey of 4-(1H-benzimidazol-2-yl)-N,N-diethyl-3-methylaniline?
The InChIKey is JVNFWYQOIOCWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-4-21(5-2)14-10-11-15(13(3)12-14)18-19-16-8-6-7-9-17(16)20-18/h6-12H,4-5H2,1-3H3,(H,19,20).
What are the key properties of 4-(1H-benzimidazol-2-yl)-N,N-diethyl-3-methylaniline?
4-(1H-benzimidazol-2-yl)-N,N-diethyl-3-methylaniline has a molecular weight of 279.39 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-yl)-N,N-diethyl-3-methylaniline is sourced from PubChem (CID 168554266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).