N-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-3-methylimidazole-4-carboxamide

C24H19N5O — CID 44530847

IUPACN-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-3-methylimidazole-4-carboxamide
SMILESCn1cncc1C(=O)Nc1cccc(-c2cccc(-c3nc4ccccc4[nH]3)c2)c1
InChIInChI=1S/C24H19N5O/c1-29-15-25-14-22(29)24(30)26-19-9-5-7-17(13-19)16-6-4-8-18(12-16)23-27-20-10-2-3-11-21(20)28-23/h2-15H,1H3,(H,26,30)(H,27,28)
InChIKeyMPDJZCJOGZKZMM-UHFFFAOYSA-N
MW393.45 g/mol
LogP4.88
Rot. Bonds4

About N-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-3-methylimidazole-4-carboxamide

N-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-3-methylimidazole-4-carboxamide (PubChem CID 44530847) has the molecular formula C24H19N5O and a molecular weight of 393.45 g/mol. Its IUPAC name is N-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-3-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-3-methylimidazole-4-carboxamide
PubChem CID44530847
Molecular FormulaC24H19N5O
Molecular Weight393.45 g/mol
Exact Mass393.16
IUPAC NameN-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-3-methylimidazole-4-carboxamide
SMILESCn1cncc1C(=O)Nc1cccc(-c2cccc(-c3nc4ccccc4[nH]3)c2)c1
InChIInChI=1S/C24H19N5O/c1-29-15-25-14-22(29)24(30)26-19-9-5-7-17(13-19)16-6-4-8-18(12-16)23-27-20-10-2-3-11-21(20)28-23/h2-15H,1H3,(H,26,30)(H,27,28)
InChIKeyMPDJZCJOGZKZMM-UHFFFAOYSA-N
XLogP4.88
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-3-methylimidazole-4-carboxamide?
The IUPAC name of N-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-3-methylimidazole-4-carboxamide (CID 44530847) is N-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-3-methylimidazole-4-carboxamide.
What is the SMILES notation for N-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-3-methylimidazole-4-carboxamide?
The canonical SMILES for N-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-3-methylimidazole-4-carboxamide is Cn1cncc1C(=O)Nc1cccc(-c2cccc(-c3nc4ccccc4[nH]3)c2)c1.
What is the InChIKey of N-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-3-methylimidazole-4-carboxamide?
The InChIKey is MPDJZCJOGZKZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O/c1-29-15-25-14-22(29)24(30)26-19-9-5-7-17(13-19)16-6-4-8-18(12-16)23-27-20-10-2-3-11-21(20)28-23/h2-15H,1H3,(H,26,30)(H,27,28).
What are the key properties of N-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-3-methylimidazole-4-carboxamide?
N-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-3-methylimidazole-4-carboxamide has a molecular weight of 393.45 g/mol, XLogP of 4.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-3-methylimidazole-4-carboxamide is sourced from PubChem (CID 44530847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).