2-[4-[2-(4-methoxyphenyl)ethyl]phenyl]-3H-benzimidazole-5-carboximidamide

C23H22N4O — CID 3007941

IUPAC2-[4-[2-(4-methoxyphenyl)ethyl]phenyl]-3H-benzimidazole-5-carboximidamide
SMILES[H]/N=C(\N)c1ccc2nc(-c3ccc(CCc4ccc(OC)cc4)cc3)[nH]c2c1
InChIInChI=1S/C23H22N4O/c1-28-19-11-6-16(7-12-19)3-2-15-4-8-17(9-5-15)23-26-20-13-10-18(22(24)25)14-21(20)27-23/h4-14H,2-3H2,1H3,(H3,24,25)(H,26,27)
InChIKeyJVMHVFNHYMOIEY-UHFFFAOYSA-N
MW370.46 g/mol
LogP4.31
Rot. Bonds6

About 2-[4-[2-(4-methoxyphenyl)ethyl]phenyl]-3H-benzimidazole-5-carboximidamide

2-[4-[2-(4-methoxyphenyl)ethyl]phenyl]-3H-benzimidazole-5-carboximidamide (PubChem CID 3007941) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is 2-[4-[2-(4-methoxyphenyl)ethyl]phenyl]-3H-benzimidazole-5-carboximidamide.

Molecular Properties

Compound Name2-[4-[2-(4-methoxyphenyl)ethyl]phenyl]-3H-benzimidazole-5-carboximidamide
PubChem CID3007941
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC Name2-[4-[2-(4-methoxyphenyl)ethyl]phenyl]-3H-benzimidazole-5-carboximidamide
SMILES[H]/N=C(\N)c1ccc2nc(-c3ccc(CCc4ccc(OC)cc4)cc3)[nH]c2c1
InChIInChI=1S/C23H22N4O/c1-28-19-11-6-16(7-12-19)3-2-15-4-8-17(9-5-15)23-26-20-13-10-18(22(24)25)14-21(20)27-23/h4-14H,2-3H2,1H3,(H3,24,25)(H,26,27)
InChIKeyJVMHVFNHYMOIEY-UHFFFAOYSA-N
XLogP4.31
TPSA87.78 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

CID 2247
CID 2247
CID 4823
CID 4823
CID 1464
CID 1464
CID 68917
CID 68917
CID 149797386
CID 149797386
CID 26412
CID 26412
CID 345686
CID 345686
CID 759420
CID 759420
CID 44622850
CID 44622850
CID 1504
CID 1504
CID 1506
CID 1506
CID 9883372
CID 9883372

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-methoxyphenyl)ethyl]phenyl]-3H-benzimidazole-5-carboximidamide?
The IUPAC name of 2-[4-[2-(4-methoxyphenyl)ethyl]phenyl]-3H-benzimidazole-5-carboximidamide (CID 3007941) is 2-[4-[2-(4-methoxyphenyl)ethyl]phenyl]-3H-benzimidazole-5-carboximidamide.
What is the SMILES notation for 2-[4-[2-(4-methoxyphenyl)ethyl]phenyl]-3H-benzimidazole-5-carboximidamide?
The canonical SMILES for 2-[4-[2-(4-methoxyphenyl)ethyl]phenyl]-3H-benzimidazole-5-carboximidamide is [H]/N=C(\N)c1ccc2nc(-c3ccc(CCc4ccc(OC)cc4)cc3)[nH]c2c1.
What is the InChIKey of 2-[4-[2-(4-methoxyphenyl)ethyl]phenyl]-3H-benzimidazole-5-carboximidamide?
The InChIKey is JVMHVFNHYMOIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c1-28-19-11-6-16(7-12-19)3-2-15-4-8-17(9-5-15)23-26-20-13-10-18(22(24)25)14-21(20)27-23/h4-14H,2-3H2,1H3,(H3,24,25)(H,26,27).
What are the key properties of 2-[4-[2-(4-methoxyphenyl)ethyl]phenyl]-3H-benzimidazole-5-carboximidamide?
2-[4-[2-(4-methoxyphenyl)ethyl]phenyl]-3H-benzimidazole-5-carboximidamide has a molecular weight of 370.46 g/mol, XLogP of 4.31, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-methoxyphenyl)ethyl]phenyl]-3H-benzimidazole-5-carboximidamide is sourced from PubChem (CID 3007941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).