1-cyclopropyl-N-[[2-[4-(2-methyl-3H-benzimidazol-5-yl)phenyl]phenyl]methyl]methanamine

C25H25N3 — CID 175937994

IUPAC1-cyclopropyl-N-[[2-[4-(2-methyl-3H-benzimidazol-5-yl)phenyl]phenyl]methyl]methanamine
SMILESCc1nc2ccc(-c3ccc(-c4ccccc4CNCC4CC4)cc3)cc2[nH]1
InChIInChI=1S/C25H25N3/c1-17-27-24-13-12-21(14-25(24)28-17)19-8-10-20(11-9-19)23-5-3-2-4-22(23)16-26-15-18-6-7-18/h2-5,8-14,18,26H,6-7,15-16H2,1H3,(H,27,28)
InChIKeySNRCAQSXABBYQH-UHFFFAOYSA-N
MW367.50 g/mol
LogP5.70
Rot. Bonds6

About 1-cyclopropyl-N-[[2-[4-(2-methyl-3H-benzimidazol-5-yl)phenyl]phenyl]methyl]methanamine

1-cyclopropyl-N-[[2-[4-(2-methyl-3H-benzimidazol-5-yl)phenyl]phenyl]methyl]methanamine (PubChem CID 175937994) has the molecular formula C25H25N3 and a molecular weight of 367.50 g/mol. Its IUPAC name is 1-cyclopropyl-N-[[2-[4-(2-methyl-3H-benzimidazol-5-yl)phenyl]phenyl]methyl]methanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[[2-[4-(2-methyl-3H-benzimidazol-5-yl)phenyl]phenyl]methyl]methanamine
PubChem CID175937994
Molecular FormulaC25H25N3
Molecular Weight367.50 g/mol
Exact Mass367.20
IUPAC Name1-cyclopropyl-N-[[2-[4-(2-methyl-3H-benzimidazol-5-yl)phenyl]phenyl]methyl]methanamine
SMILESCc1nc2ccc(-c3ccc(-c4ccccc4CNCC4CC4)cc3)cc2[nH]1
InChIInChI=1S/C25H25N3/c1-17-27-24-13-12-21(14-25(24)28-17)19-8-10-20(11-9-19)23-5-3-2-4-22(23)16-26-15-18-6-7-18/h2-5,8-14,18,26H,6-7,15-16H2,1H3,(H,27,28)
InChIKeySNRCAQSXABBYQH-UHFFFAOYSA-N
XLogP5.70
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.50
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-cyclopropyl-N-[[2-[4-(2-methyl-3H-benzimidazol-5-yl)phenyl]phenyl]methyl]methanamine 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 1-cyclopropyl-N-[[2-[4-(2-methyl-3H-benzimidazol-5-yl)phenyl]phenyl]methyl]methanamine?
The IUPAC name of 1-cyclopropyl-N-[[2-[4-(2-methyl-3H-benzimidazol-5-yl)phenyl]phenyl]methyl]methanamine (CID 175937994) is 1-cyclopropyl-N-[[2-[4-(2-methyl-3H-benzimidazol-5-yl)phenyl]phenyl]methyl]methanamine.
What is the SMILES notation for 1-cyclopropyl-N-[[2-[4-(2-methyl-3H-benzimidazol-5-yl)phenyl]phenyl]methyl]methanamine?
The canonical SMILES for 1-cyclopropyl-N-[[2-[4-(2-methyl-3H-benzimidazol-5-yl)phenyl]phenyl]methyl]methanamine is Cc1nc2ccc(-c3ccc(-c4ccccc4CNCC4CC4)cc3)cc2[nH]1.
What is the InChIKey of 1-cyclopropyl-N-[[2-[4-(2-methyl-3H-benzimidazol-5-yl)phenyl]phenyl]methyl]methanamine?
The InChIKey is SNRCAQSXABBYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3/c1-17-27-24-13-12-21(14-25(24)28-17)19-8-10-20(11-9-19)23-5-3-2-4-22(23)16-26-15-18-6-7-18/h2-5,8-14,18,26H,6-7,15-16H2,1H3,(H,27,28).
What are the key properties of 1-cyclopropyl-N-[[2-[4-(2-methyl-3H-benzimidazol-5-yl)phenyl]phenyl]methyl]methanamine?
1-cyclopropyl-N-[[2-[4-(2-methyl-3H-benzimidazol-5-yl)phenyl]phenyl]methyl]methanamine has a molecular weight of 367.50 g/mol, XLogP of 5.70, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[[2-[4-(2-methyl-3H-benzimidazol-5-yl)phenyl]phenyl]methyl]methanamine is sourced from PubChem (CID 175937994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).