N-[4-(1H-benzimidazol-2-yl)phenyl]-3-(pyridin-3-ylmethoxy)benzamide

C26H20N4O2 — CID 55771402

IUPACN-[4-(1H-benzimidazol-2-yl)phenyl]-3-(pyridin-3-ylmethoxy)benzamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cccc(OCc2cccnc2)c1
InChIInChI=1S/C26H20N4O2/c31-26(20-6-3-7-22(15-20)32-17-18-5-4-14-27-16-18)28-21-12-10-19(11-13-21)25-29-23-8-1-2-9-24(23)30-25/h1-16H,17H2,(H,28,31)(H,29,30)
InChIKeyYGQLKPCBDDAHSZ-UHFFFAOYSA-N
MW420.47 g/mol
LogP5.46
Rot. Bonds6

About N-[4-(1H-benzimidazol-2-yl)phenyl]-3-(pyridin-3-ylmethoxy)benzamide

N-[4-(1H-benzimidazol-2-yl)phenyl]-3-(pyridin-3-ylmethoxy)benzamide (PubChem CID 55771402) has the molecular formula C26H20N4O2 and a molecular weight of 420.47 g/mol. Its IUPAC name is N-[4-(1H-benzimidazol-2-yl)phenyl]-3-(pyridin-3-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[4-(1H-benzimidazol-2-yl)phenyl]-3-(pyridin-3-ylmethoxy)benzamide
PubChem CID55771402
Molecular FormulaC26H20N4O2
Molecular Weight420.47 g/mol
Exact Mass420.16
IUPAC NameN-[4-(1H-benzimidazol-2-yl)phenyl]-3-(pyridin-3-ylmethoxy)benzamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cccc(OCc2cccnc2)c1
InChIInChI=1S/C26H20N4O2/c31-26(20-6-3-7-22(15-20)32-17-18-5-4-14-27-16-18)28-21-12-10-19(11-13-21)25-29-23-8-1-2-9-24(23)30-25/h1-16H,17H2,(H,28,31)(H,29,30)
InChIKeyYGQLKPCBDDAHSZ-UHFFFAOYSA-N
XLogP5.46
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.47
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-phenylmethoxy-3-pyridinyl)-3-(pyridin-3-ylmethoxy)benzamide
CID 55880084
N-[4-(ethylsulfonylamino)phenyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 55960984
N-[[4-(1H-benzimidazol-2-yl)phenyl]carbamothioyl]-3-propoxybenzamide
CID 2283414
N-[3-(1H-benzimidazol-2-yl)phenyl]-3-butoxybenzamide
CID 15997481
N-[4-(1H-benzimidazol-2-yl)phenyl]-4-(2-oxo-2-phenylacetyl)benzamide
CID 2479214
N-(3-fluoro-4-methoxyphenyl)-3-(pyridin-3-ylmethoxy)benzamide
CID 55796689
N-[4-[6-[(2,6-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]pyridine-3-carboxamide
CID 20694978
[3-[[3-(1H-benzimidazol-2-yl)phenyl]carbamoyl]phenyl] acetate
CID 5058448
N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-2-pyridin-3-ylacetamide
CID 146021518
N-[4-(1H-benzimidazol-2-yl)phenyl]thiophene-3-carboxamide
CID 43029730
N-[4-(1H-benzimidazol-2-yl)phenyl]-4-bromobenzamide
CID 3011124
N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-butoxybenzamide
CID 3114141

Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-3-(pyridin-3-ylmethoxy)benzamide?
The IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-3-(pyridin-3-ylmethoxy)benzamide (CID 55771402) is N-[4-(1H-benzimidazol-2-yl)phenyl]-3-(pyridin-3-ylmethoxy)benzamide.
What is the SMILES notation for N-[4-(1H-benzimidazol-2-yl)phenyl]-3-(pyridin-3-ylmethoxy)benzamide?
The canonical SMILES for N-[4-(1H-benzimidazol-2-yl)phenyl]-3-(pyridin-3-ylmethoxy)benzamide is O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cccc(OCc2cccnc2)c1.
What is the InChIKey of N-[4-(1H-benzimidazol-2-yl)phenyl]-3-(pyridin-3-ylmethoxy)benzamide?
The InChIKey is YGQLKPCBDDAHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4O2/c31-26(20-6-3-7-22(15-20)32-17-18-5-4-14-27-16-18)28-21-12-10-19(11-13-21)25-29-23-8-1-2-9-24(23)30-25/h1-16H,17H2,(H,28,31)(H,29,30).
What are the key properties of N-[4-(1H-benzimidazol-2-yl)phenyl]-3-(pyridin-3-ylmethoxy)benzamide?
N-[4-(1H-benzimidazol-2-yl)phenyl]-3-(pyridin-3-ylmethoxy)benzamide has a molecular weight of 420.47 g/mol, XLogP of 5.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-benzimidazol-2-yl)phenyl]-3-(pyridin-3-ylmethoxy)benzamide is sourced from PubChem (CID 55771402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).