N-[3-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-3-(1H-imidazol-5-yl)propanamide

C25H21N5O — CID 44523600

IUPACN-[3-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-3-(1H-imidazol-5-yl)propanamide
SMILESO=C(CCc1cnc[nH]1)Nc1cccc(-c2ccc(-c3nc4ccccc4[nH]3)cc2)c1
InChIInChI=1S/C25H21N5O/c31-24(13-12-21-15-26-16-27-21)28-20-5-3-4-19(14-20)17-8-10-18(11-9-17)25-29-22-6-1-2-7-23(22)30-25/h1-11,14-16H,12-13H2,(H,26,27)(H,28,31)(H,29,30)
InChIKeyCNOJQMYALHRCGX-UHFFFAOYSA-N
MW407.48 g/mol
LogP5.19
Rot. Bonds6

About N-[3-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-3-(1H-imidazol-5-yl)propanamide

N-[3-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-3-(1H-imidazol-5-yl)propanamide (PubChem CID 44523600) has the molecular formula C25H21N5O and a molecular weight of 407.48 g/mol. Its IUPAC name is N-[3-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-3-(1H-imidazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[3-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-3-(1H-imidazol-5-yl)propanamide
PubChem CID44523600
Molecular FormulaC25H21N5O
Molecular Weight407.48 g/mol
Exact Mass407.17
IUPAC NameN-[3-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-3-(1H-imidazol-5-yl)propanamide
SMILESO=C(CCc1cnc[nH]1)Nc1cccc(-c2ccc(-c3nc4ccccc4[nH]3)cc2)c1
InChIInChI=1S/C25H21N5O/c31-24(13-12-21-15-26-16-27-21)28-20-5-3-4-19(14-20)17-8-10-18(11-9-17)25-29-22-6-1-2-7-23(22)30-25/h1-11,14-16H,12-13H2,(H,26,27)(H,28,31)(H,29,30)
InChIKeyCNOJQMYALHRCGX-UHFFFAOYSA-N
XLogP5.19
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.48
LogP ≤ 55.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-3-(1H-imidazol-5-yl)propanamide?
The IUPAC name of N-[3-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-3-(1H-imidazol-5-yl)propanamide (CID 44523600) is N-[3-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-3-(1H-imidazol-5-yl)propanamide.
What is the SMILES notation for N-[3-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-3-(1H-imidazol-5-yl)propanamide?
The canonical SMILES for N-[3-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-3-(1H-imidazol-5-yl)propanamide is O=C(CCc1cnc[nH]1)Nc1cccc(-c2ccc(-c3nc4ccccc4[nH]3)cc2)c1.
What is the InChIKey of N-[3-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-3-(1H-imidazol-5-yl)propanamide?
The InChIKey is CNOJQMYALHRCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O/c31-24(13-12-21-15-26-16-27-21)28-20-5-3-4-19(14-20)17-8-10-18(11-9-17)25-29-22-6-1-2-7-23(22)30-25/h1-11,14-16H,12-13H2,(H,26,27)(H,28,31)(H,29,30).
What are the key properties of N-[3-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-3-(1H-imidazol-5-yl)propanamide?
N-[3-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-3-(1H-imidazol-5-yl)propanamide has a molecular weight of 407.48 g/mol, XLogP of 5.19, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-3-(1H-imidazol-5-yl)propanamide is sourced from PubChem (CID 44523600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).