N,N-dimethyl-4-(4-methyl-1H-benzimidazol-2-yl)naphthalen-1-amine

C20H19N3 — CID 70123038

IUPACN,N-dimethyl-4-(4-methyl-1H-benzimidazol-2-yl)naphthalen-1-amine
SMILESCc1cccc2[nH]c(-c3ccc(N(C)C)c4ccccc34)nc12
InChIInChI=1S/C20H19N3/c1-13-7-6-10-17-19(13)22-20(21-17)16-11-12-18(23(2)3)15-9-5-4-8-14(15)16/h4-12H,1-3H3,(H,21,22)
InChIKeyKWHXWTLRIGKSMC-UHFFFAOYSA-N
MW301.39 g/mol
LogP4.76
Rot. Bonds2

About N,N-dimethyl-4-(4-methyl-1H-benzimidazol-2-yl)naphthalen-1-amine

N,N-dimethyl-4-(4-methyl-1H-benzimidazol-2-yl)naphthalen-1-amine (PubChem CID 70123038) has the molecular formula C20H19N3 and a molecular weight of 301.39 g/mol. Its IUPAC name is N,N-dimethyl-4-(4-methyl-1H-benzimidazol-2-yl)naphthalen-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-(4-methyl-1H-benzimidazol-2-yl)naphthalen-1-amine
PubChem CID70123038
Molecular FormulaC20H19N3
Molecular Weight301.39 g/mol
Exact Mass301.16
IUPAC NameN,N-dimethyl-4-(4-methyl-1H-benzimidazol-2-yl)naphthalen-1-amine
SMILESCc1cccc2[nH]c(-c3ccc(N(C)C)c4ccccc34)nc12
InChIInChI=1S/C20H19N3/c1-13-7-6-10-17-19(13)22-20(21-17)16-11-12-18(23(2)3)15-9-5-4-8-14(15)16/h4-12H,1-3H3,(H,21,22)
InChIKeyKWHXWTLRIGKSMC-UHFFFAOYSA-N
XLogP4.76
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N,N-dimethyl-4-(4-methyl-1H-benzimidazol-2-yl)naphthalen-1-amine 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

4-methyl-2-(2-methylphenyl)-1H-benzimidazole
CID 59018429
2-(2-bromo-3-methylphenyl)-4-methyl-1H-benzimidazole
CID 107983005
2-(2,3-difluorophenyl)-4-methyl-1H-benzimidazole
CID 64724320
2-(5-fluoro-2-methylphenyl)-4-methyl-1H-benzimidazole
CID 64722292
2-(2-ethoxyphenyl)-4-methyl-1H-benzimidazole
CID 60646509
5-(4-methyl-1H-benzimidazol-2-yl)quinoxaline
CID 104615378
4-methyl-2-(2,4,6-trimethylphenyl)-1H-benzimidazole
CID 64723101
4-methyl-2-(1-methyl-3-phenylpyrazol-4-yl)-1H-benzimidazole
CID 59784918
4-methyl-2-(3-methylthiophen-2-yl)-1H-benzimidazole
CID 60646555
5-(1H-benzimidazol-2-yl)-8-methylquinoline
CID 168554319
2-(2-bromo-3-methylphenyl)-1H-benzimidazol-4-amine
CID 107982657
N-methyl-1-(4-methyl-1H-benzimidazol-2-yl)-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]methanamine
CID 58884472

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(4-methyl-1H-benzimidazol-2-yl)naphthalen-1-amine?
The IUPAC name of N,N-dimethyl-4-(4-methyl-1H-benzimidazol-2-yl)naphthalen-1-amine (CID 70123038) is N,N-dimethyl-4-(4-methyl-1H-benzimidazol-2-yl)naphthalen-1-amine.
What is the SMILES notation for N,N-dimethyl-4-(4-methyl-1H-benzimidazol-2-yl)naphthalen-1-amine?
The canonical SMILES for N,N-dimethyl-4-(4-methyl-1H-benzimidazol-2-yl)naphthalen-1-amine is Cc1cccc2[nH]c(-c3ccc(N(C)C)c4ccccc34)nc12.
What is the InChIKey of N,N-dimethyl-4-(4-methyl-1H-benzimidazol-2-yl)naphthalen-1-amine?
The InChIKey is KWHXWTLRIGKSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3/c1-13-7-6-10-17-19(13)22-20(21-17)16-11-12-18(23(2)3)15-9-5-4-8-14(15)16/h4-12H,1-3H3,(H,21,22).
What are the key properties of N,N-dimethyl-4-(4-methyl-1H-benzimidazol-2-yl)naphthalen-1-amine?
N,N-dimethyl-4-(4-methyl-1H-benzimidazol-2-yl)naphthalen-1-amine has a molecular weight of 301.39 g/mol, XLogP of 4.76, 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-(4-methyl-1H-benzimidazol-2-yl)naphthalen-1-amine is sourced from PubChem (CID 70123038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).