N-[2-(1H-benzimidazol-2-yl)phenyl]-3-methyl-4-(morpholin-4-ylmethyl)benzamide

C26H26N4O2 — CID 70914499

IUPACN-[2-(1H-benzimidazol-2-yl)phenyl]-3-methyl-4-(morpholin-4-ylmethyl)benzamide
SMILESCc1cc(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)ccc1CN1CCOCC1
InChIInChI=1S/C26H26N4O2/c1-18-16-19(10-11-20(18)17-30-12-14-32-15-13-30)26(31)29-22-7-3-2-6-21(22)25-27-23-8-4-5-9-24(23)28-25/h2-11,16H,12-15,17H2,1H3,(H,27,28)(H,29,31)
InChIKeyAJHPQURDSZVSAX-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.62
Rot. Bonds5

About N-[2-(1H-benzimidazol-2-yl)phenyl]-3-methyl-4-(morpholin-4-ylmethyl)benzamide

N-[2-(1H-benzimidazol-2-yl)phenyl]-3-methyl-4-(morpholin-4-ylmethyl)benzamide (PubChem CID 70914499) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)phenyl]-3-methyl-4-(morpholin-4-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)phenyl]-3-methyl-4-(morpholin-4-ylmethyl)benzamide
PubChem CID70914499
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC NameN-[2-(1H-benzimidazol-2-yl)phenyl]-3-methyl-4-(morpholin-4-ylmethyl)benzamide
SMILESCc1cc(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)ccc1CN1CCOCC1
InChIInChI=1S/C26H26N4O2/c1-18-16-19(10-11-20(18)17-30-12-14-32-15-13-30)26(31)29-22-7-3-2-6-21(22)25-27-23-8-4-5-9-24(23)28-25/h2-11,16H,12-15,17H2,1H3,(H,27,28)(H,29,31)
InChIKeyAJHPQURDSZVSAX-UHFFFAOYSA-N
XLogP4.62
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1H-benzimidazol-2-yl)phenyl]-3-methoxy-4-(pyrrolidin-1-ylmethyl)benzamide
CID 59679963
3-methyl-N-(4-methylphenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 157492657
N-[2-(1H-benzimidazol-2-yl)phenyl]-3-ethoxy-4-methoxybenzamide
CID 134059402
N-[2-(1H-benzimidazol-2-yl)phenyl]-3-methoxybenzamide
CID 742047
N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3-methoxy-4-(piperidin-1-ylmethyl)benzamide
CID 59679856
N-[2-(1H-benzimidazol-2-yl)phenyl]acetamide
CID 5137262
4-methyl-N-[2-(morpholin-4-ylmethyl)phenyl]-3-pyrazol-1-ylbenzamide
CID 46968974
N-[2-(1H-benzimidazol-2-yl)phenyl]-4-(ethylsulfanylmethyl)benzamide
CID 60527286
N-[2-(1H-benzimidazol-2-yl)phenyl]-4-cyanobenzamide
CID 739930
N-[2-(1H-benzimidazol-2-yl)phenyl]-3-(diethylsulfamoyl)benzamide
CID 167924073
ethyl 4-[4-[[2-(1H-benzimidazol-2-yl)phenyl]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate
CID 4283004
N-[2-(1H-benzimidazol-2-yl)phenyl]pyridine-3-carboxamide
CID 23826035

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)phenyl]-3-methyl-4-(morpholin-4-ylmethyl)benzamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)phenyl]-3-methyl-4-(morpholin-4-ylmethyl)benzamide (CID 70914499) is N-[2-(1H-benzimidazol-2-yl)phenyl]-3-methyl-4-(morpholin-4-ylmethyl)benzamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)phenyl]-3-methyl-4-(morpholin-4-ylmethyl)benzamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)phenyl]-3-methyl-4-(morpholin-4-ylmethyl)benzamide is Cc1cc(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)ccc1CN1CCOCC1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)phenyl]-3-methyl-4-(morpholin-4-ylmethyl)benzamide?
The InChIKey is AJHPQURDSZVSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2/c1-18-16-19(10-11-20(18)17-30-12-14-32-15-13-30)26(31)29-22-7-3-2-6-21(22)25-27-23-8-4-5-9-24(23)28-25/h2-11,16H,12-15,17H2,1H3,(H,27,28)(H,29,31).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)phenyl]-3-methyl-4-(morpholin-4-ylmethyl)benzamide?
N-[2-(1H-benzimidazol-2-yl)phenyl]-3-methyl-4-(morpholin-4-ylmethyl)benzamide has a molecular weight of 426.52 g/mol, XLogP of 4.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)phenyl]-3-methyl-4-(morpholin-4-ylmethyl)benzamide is sourced from PubChem (CID 70914499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).