2-methyl-N-[[4-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]propan-1-amine

C25H27N3 — CID 44524672

IUPAC2-methyl-N-[[4-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]propan-1-amine
SMILESCc1cccc2[nH]c(-c3ccc(-c4ccc(CNCC(C)C)cc4)cc3)nc12
InChIInChI=1S/C25H27N3/c1-17(2)15-26-16-19-7-9-20(10-8-19)21-11-13-22(14-12-21)25-27-23-6-4-5-18(3)24(23)28-25/h4-14,17,26H,15-16H2,1-3H3,(H,27,28)
InChIKeyATGPWJDPLMQUGE-UHFFFAOYSA-N
MW369.51 g/mol
LogP5.95
Rot. Bonds6

About 2-methyl-N-[[4-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]propan-1-amine

2-methyl-N-[[4-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]propan-1-amine (PubChem CID 44524672) has the molecular formula C25H27N3 and a molecular weight of 369.51 g/mol. Its IUPAC name is 2-methyl-N-[[4-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[4-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]propan-1-amine
PubChem CID44524672
Molecular FormulaC25H27N3
Molecular Weight369.51 g/mol
Exact Mass369.22
IUPAC Name2-methyl-N-[[4-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]propan-1-amine
SMILESCc1cccc2[nH]c(-c3ccc(-c4ccc(CNCC(C)C)cc4)cc3)nc12
InChIInChI=1S/C25H27N3/c1-17(2)15-26-16-19-7-9-20(10-8-19)21-11-13-22(14-12-21)25-27-23-6-4-5-18(3)24(23)28-25/h4-14,17,26H,15-16H2,1-3H3,(H,27,28)
InChIKeyATGPWJDPLMQUGE-UHFFFAOYSA-N
XLogP5.95
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.51
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[4-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]propan-1-amine (CID 44524672) is 2-methyl-N-[[4-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[4-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[4-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]propan-1-amine is Cc1cccc2[nH]c(-c3ccc(-c4ccc(CNCC(C)C)cc4)cc3)nc12.
What is the InChIKey of 2-methyl-N-[[4-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]propan-1-amine?
The InChIKey is ATGPWJDPLMQUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3/c1-17(2)15-26-16-19-7-9-20(10-8-19)21-11-13-22(14-12-21)25-27-23-6-4-5-18(3)24(23)28-25/h4-14,17,26H,15-16H2,1-3H3,(H,27,28).
What are the key properties of 2-methyl-N-[[4-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]propan-1-amine?
2-methyl-N-[[4-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]propan-1-amine has a molecular weight of 369.51 g/mol, XLogP of 5.95, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]propan-1-amine is sourced from PubChem (CID 44524672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).