2-[1-(1H-benzimidazol-2-yl)-3-(3-methoxyphenyl)propan-2-yl]-1H-benzimidazole

C24H22N4O — CID 2837681

IUPAC2-[1-(1H-benzimidazol-2-yl)-3-(3-methoxyphenyl)propan-2-yl]-1H-benzimidazole
SMILESCOc1cccc(CC(Cc2nc3ccccc3[nH]2)c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C24H22N4O/c1-29-18-8-6-7-16(14-18)13-17(24-27-21-11-4-5-12-22(21)28-24)15-23-25-19-9-2-3-10-20(19)26-23/h2-12,14,17H,13,15H2,1H3,(H,25,26)(H,27,28)
InChIKeyOTPWVDXGWFKWTA-UHFFFAOYSA-N
MW382.47 g/mol
LogP5.02
Rot. Bonds6

About 2-[1-(1H-benzimidazol-2-yl)-3-(3-methoxyphenyl)propan-2-yl]-1H-benzimidazole

2-[1-(1H-benzimidazol-2-yl)-3-(3-methoxyphenyl)propan-2-yl]-1H-benzimidazole (PubChem CID 2837681) has the molecular formula C24H22N4O and a molecular weight of 382.47 g/mol. Its IUPAC name is 2-[1-(1H-benzimidazol-2-yl)-3-(3-methoxyphenyl)propan-2-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[1-(1H-benzimidazol-2-yl)-3-(3-methoxyphenyl)propan-2-yl]-1H-benzimidazole
PubChem CID2837681
Molecular FormulaC24H22N4O
Molecular Weight382.47 g/mol
Exact Mass382.18
IUPAC Name2-[1-(1H-benzimidazol-2-yl)-3-(3-methoxyphenyl)propan-2-yl]-1H-benzimidazole
SMILESCOc1cccc(CC(Cc2nc3ccccc3[nH]2)c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C24H22N4O/c1-29-18-8-6-7-16(14-18)13-17(24-27-21-11-4-5-12-22(21)28-24)15-23-25-19-9-2-3-10-20(19)26-23/h2-12,14,17H,13,15H2,1H3,(H,25,26)(H,27,28)
InChIKeyOTPWVDXGWFKWTA-UHFFFAOYSA-N
XLogP5.02
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.47
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenyl)-1H-1,3-benzodiazole
CID 345686
[3-(4-{2'-[4-(3-Dimethylamino-propoxy)-phenyl]-3h,3'h-[5,5']bibenzoimidazolyl-2-yl}-phenoxy)-propyl]-dimethyl-amine
CID 1946
2-[(4-methylphenoxy)methyl]-1H-benzimidazole
CID 699923
2-[(3,4-dimethoxyphenyl)methyl]-1H-1,3-benzodiazole
CID 393989
2-(2-methoxyphenyl)-1H-benzimidazole
CID 759420
6-methoxy-2-[(4-phenoxyphenyl)methyl]-1H-benzimidazole
CID 9797585
2-[(4-phenoxyphenyl)methyl]-1H-benzimidazole
CID 9817808
2-[(4-phenoxyphenyl)methyl]-3H-benzimidazol-5-amine
CID 9883372
2-(4-(2-(2-fluoro-6-methoxyphenyl)-7-methyl-1H-benzo[d]imidazol-5-yl)piperidin-1-yl)-N-methylethanamine
CID 45487323
2-(4-(2-(4-fluoro-2-methoxyphenyl)-7-methyl-1H-benzo[d]imidazol-5-yl)piperidin-1-yl)-N-methylethanamine
CID 45487347
2-(4-(2-(2-methoxyphenyl)-4-methyl-1H-benzo[d]imidazol-6-yl)piperidin-1-yl)-N-methylethanamine
CID 45487361
2-(1,3-benzodioxol-5-yl)-1H-benzimidazole
CID 242962

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1H-benzimidazol-2-yl)-3-(3-methoxyphenyl)propan-2-yl]-1H-benzimidazole?
The IUPAC name of 2-[1-(1H-benzimidazol-2-yl)-3-(3-methoxyphenyl)propan-2-yl]-1H-benzimidazole (CID 2837681) is 2-[1-(1H-benzimidazol-2-yl)-3-(3-methoxyphenyl)propan-2-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[1-(1H-benzimidazol-2-yl)-3-(3-methoxyphenyl)propan-2-yl]-1H-benzimidazole?
The canonical SMILES for 2-[1-(1H-benzimidazol-2-yl)-3-(3-methoxyphenyl)propan-2-yl]-1H-benzimidazole is COc1cccc(CC(Cc2nc3ccccc3[nH]2)c2nc3ccccc3[nH]2)c1.
What is the InChIKey of 2-[1-(1H-benzimidazol-2-yl)-3-(3-methoxyphenyl)propan-2-yl]-1H-benzimidazole?
The InChIKey is OTPWVDXGWFKWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O/c1-29-18-8-6-7-16(14-18)13-17(24-27-21-11-4-5-12-22(21)28-24)15-23-25-19-9-2-3-10-20(19)26-23/h2-12,14,17H,13,15H2,1H3,(H,25,26)(H,27,28).
What are the key properties of 2-[1-(1H-benzimidazol-2-yl)-3-(3-methoxyphenyl)propan-2-yl]-1H-benzimidazole?
2-[1-(1H-benzimidazol-2-yl)-3-(3-methoxyphenyl)propan-2-yl]-1H-benzimidazole has a molecular weight of 382.47 g/mol, XLogP of 5.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1H-benzimidazol-2-yl)-3-(3-methoxyphenyl)propan-2-yl]-1H-benzimidazole is sourced from PubChem (CID 2837681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).