2-[[4-(4-methoxyphenoxy)phenyl]methylamino]-1H-benzimidazole-4-carbonitrile

C22H18N4O2 — CID 172634501

IUPAC2-[[4-(4-methoxyphenoxy)phenyl]methylamino]-1H-benzimidazole-4-carbonitrile
SMILESCOc1ccc(Oc2ccc(CNc3nc4c(C#N)cccc4[nH]3)cc2)cc1
InChIInChI=1S/C22H18N4O2/c1-27-17-9-11-19(12-10-17)28-18-7-5-15(6-8-18)14-24-22-25-20-4-2-3-16(13-23)21(20)26-22/h2-12H,14H2,1H3,(H2,24,25,26)
InChIKeyYVGMVOHOOZMNFW-UHFFFAOYSA-N
MW370.41 g/mol
LogP4.85
Rot. Bonds6

About 2-[[4-(4-methoxyphenoxy)phenyl]methylamino]-1H-benzimidazole-4-carbonitrile

2-[[4-(4-methoxyphenoxy)phenyl]methylamino]-1H-benzimidazole-4-carbonitrile (PubChem CID 172634501) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is 2-[[4-(4-methoxyphenoxy)phenyl]methylamino]-1H-benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name2-[[4-(4-methoxyphenoxy)phenyl]methylamino]-1H-benzimidazole-4-carbonitrile
PubChem CID172634501
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC Name2-[[4-(4-methoxyphenoxy)phenyl]methylamino]-1H-benzimidazole-4-carbonitrile
SMILESCOc1ccc(Oc2ccc(CNc3nc4c(C#N)cccc4[nH]3)cc2)cc1
InChIInChI=1S/C22H18N4O2/c1-27-17-9-11-19(12-10-17)28-18-7-5-15(6-8-18)14-24-22-25-20-4-2-3-16(13-23)21(20)26-22/h2-12H,14H2,1H3,(H2,24,25,26)
InChIKeyYVGMVOHOOZMNFW-UHFFFAOYSA-N
XLogP4.85
TPSA82.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[4-(4-methoxyphenoxy)phenyl]methylamino]-1H-benzimidazole-4-carbonitrile 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-[[(4-cyano-1H-benzimidazol-2-yl)amino]methyl]-N-[(4-phenoxyphenyl)methyl]benzamide
CID 172634467
2-[(4-hydroxyphenyl)methylamino]-1H-benzimidazole-4-carbonitrile
CID 172634498
4-[[(4-cyano-1H-benzimidazol-2-yl)amino]methyl]-N-(2-methylpropyl)benzamide
CID 172634410
2-[(2-methylphenyl)methylamino]-1H-benzimidazole-4-carbonitrile
CID 172634504
2-[(2,4-difluorophenyl)methylamino]-1H-benzimidazole-4-carbonitrile
CID 170579235
2-[[2-(4-cyanophenyl)-2-methylpropyl]amino]-1H-benzimidazole-4-carbonitrile
CID 170579962
2-cyano-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 26948091
2-(2-bromo-5-methoxyphenyl)-1H-benzimidazole-4-carbonitrile
CID 104720650
2-[2-(2-chlorophenyl)ethylamino]-1H-benzimidazole-4-carbonitrile
CID 172634449
2-chloro-6-[(4-methoxyphenyl)methylamino]pyridine-3-carbonitrile
CID 142587231
5-[(4-methoxyphenyl)methylamino]benzene-1,3-dicarbonitrile
CID 174921952
3-chloro-2-[(4-methoxyphenyl)methylamino]pyridine-4-carbonitrile
CID 107056731

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-methoxyphenoxy)phenyl]methylamino]-1H-benzimidazole-4-carbonitrile?
The IUPAC name of 2-[[4-(4-methoxyphenoxy)phenyl]methylamino]-1H-benzimidazole-4-carbonitrile (CID 172634501) is 2-[[4-(4-methoxyphenoxy)phenyl]methylamino]-1H-benzimidazole-4-carbonitrile.
What is the SMILES notation for 2-[[4-(4-methoxyphenoxy)phenyl]methylamino]-1H-benzimidazole-4-carbonitrile?
The canonical SMILES for 2-[[4-(4-methoxyphenoxy)phenyl]methylamino]-1H-benzimidazole-4-carbonitrile is COc1ccc(Oc2ccc(CNc3nc4c(C#N)cccc4[nH]3)cc2)cc1.
What is the InChIKey of 2-[[4-(4-methoxyphenoxy)phenyl]methylamino]-1H-benzimidazole-4-carbonitrile?
The InChIKey is YVGMVOHOOZMNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2/c1-27-17-9-11-19(12-10-17)28-18-7-5-15(6-8-18)14-24-22-25-20-4-2-3-16(13-23)21(20)26-22/h2-12H,14H2,1H3,(H2,24,25,26).
What are the key properties of 2-[[4-(4-methoxyphenoxy)phenyl]methylamino]-1H-benzimidazole-4-carbonitrile?
2-[[4-(4-methoxyphenoxy)phenyl]methylamino]-1H-benzimidazole-4-carbonitrile has a molecular weight of 370.41 g/mol, XLogP of 4.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-methoxyphenoxy)phenyl]methylamino]-1H-benzimidazole-4-carbonitrile is sourced from PubChem (CID 172634501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).