N-[[4-methyl-3-(4,5,6,7-tetrahydrobenzimidazol-1-yl)phenyl]methyl]cyclopropanamine

C18H23N3 — CID 105406417

IUPACN-[[4-methyl-3-(4,5,6,7-tetrahydrobenzimidazol-1-yl)phenyl]methyl]cyclopropanamine
SMILESCc1ccc(CNC2CC2)cc1-n1cnc2c1CCCC2
InChIInChI=1S/C18H23N3/c1-13-6-7-14(11-19-15-8-9-15)10-18(13)21-12-20-16-4-2-3-5-17(16)21/h6-7,10,12,15,19H,2-5,8-9,11H2,1H3
InChIKeyJQJJITWOZVIVTR-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.31
Rot. Bonds4

About N-[[4-methyl-3-(4,5,6,7-tetrahydrobenzimidazol-1-yl)phenyl]methyl]cyclopropanamine

N-[[4-methyl-3-(4,5,6,7-tetrahydrobenzimidazol-1-yl)phenyl]methyl]cyclopropanamine (PubChem CID 105406417) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[[4-methyl-3-(4,5,6,7-tetrahydrobenzimidazol-1-yl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-methyl-3-(4,5,6,7-tetrahydrobenzimidazol-1-yl)phenyl]methyl]cyclopropanamine
PubChem CID105406417
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC NameN-[[4-methyl-3-(4,5,6,7-tetrahydrobenzimidazol-1-yl)phenyl]methyl]cyclopropanamine
SMILESCc1ccc(CNC2CC2)cc1-n1cnc2c1CCCC2
InChIInChI=1S/C18H23N3/c1-13-6-7-14(11-19-15-8-9-15)10-18(13)21-12-20-16-4-2-3-5-17(16)21/h6-7,10,12,15,19H,2-5,8-9,11H2,1H3
InChIKeyJQJJITWOZVIVTR-UHFFFAOYSA-N
XLogP3.31
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[4-methyl-3-(4,5,6,7-tetrahydrobenzimidazol-1-yl)phenyl]methyl]cyclopropanamine 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

1-[5-(chloromethyl)-2-methylphenyl]-4,5,6,7-tetrahydrobenzimidazole
CID 105405946
N-[[3-fluoro-5-(4,5,6,7-tetrahydrobenzimidazol-1-yl)phenyl]methyl]cyclopropanamine
CID 106533217
N-[[3-chloro-4-(4,5-dimethylimidazol-1-yl)phenyl]methyl]cyclopropanamine
CID 81150635
N-[(3-chloro-4-methylphenyl)methyl]cyclohexanamine
CID 63195272
5-[(cyclopentylamino)methyl]-2-methylphenol
CID 117221552
1-[4-[(cyclopropylamino)methyl]-2-methylphenyl]-1,2,4-triazole-3-carbonitrile
CID 55157728
N-[[4-(4,5-dimethylimidazol-1-yl)phenyl]methyl]cyclopropanamine
CID 62351103
N-[(4-methyl-3-propan-2-ylphenyl)methyl]cyclopropanamine
CID 105408787
4-[(cyclopentylamino)methyl]-2-methylaniline
CID 61149501
N-[[4-methyl-3-(3-methyl-1-propan-2-ylpyrazol-4-yl)phenyl]methyl]cyclopropanamine
CID 105410060
N-[[3-(4,5-dimethylimidazol-1-yl)phenyl]methyl]cyclopropanamine
CID 63943468
N-[[3-methyl-4-(3,4,5-trimethylpyrazol-1-yl)phenyl]methyl]cyclopropanamine
CID 62123320

Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-3-(4,5,6,7-tetrahydrobenzimidazol-1-yl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-methyl-3-(4,5,6,7-tetrahydrobenzimidazol-1-yl)phenyl]methyl]cyclopropanamine (CID 105406417) is N-[[4-methyl-3-(4,5,6,7-tetrahydrobenzimidazol-1-yl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-methyl-3-(4,5,6,7-tetrahydrobenzimidazol-1-yl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-methyl-3-(4,5,6,7-tetrahydrobenzimidazol-1-yl)phenyl]methyl]cyclopropanamine is Cc1ccc(CNC2CC2)cc1-n1cnc2c1CCCC2.
What is the InChIKey of N-[[4-methyl-3-(4,5,6,7-tetrahydrobenzimidazol-1-yl)phenyl]methyl]cyclopropanamine?
The InChIKey is JQJJITWOZVIVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-13-6-7-14(11-19-15-8-9-15)10-18(13)21-12-20-16-4-2-3-5-17(16)21/h6-7,10,12,15,19H,2-5,8-9,11H2,1H3.
What are the key properties of N-[[4-methyl-3-(4,5,6,7-tetrahydrobenzimidazol-1-yl)phenyl]methyl]cyclopropanamine?
N-[[4-methyl-3-(4,5,6,7-tetrahydrobenzimidazol-1-yl)phenyl]methyl]cyclopropanamine has a molecular weight of 281.40 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-3-(4,5,6,7-tetrahydrobenzimidazol-1-yl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 105406417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).