CID 58084336

C19H15N6O — CID 58084336

IUPAC—
SMILESCc1ccc2nc(-c3nc(C(=O)Nc4ccccc4)cnc3[NH])[nH]c2c1
InChIInChI=1S/C19H15N6O/c1-11-7-8-13-14(9-11)25-18(24-13)16-17(20)21-10-15(23-16)19(26)22-12-5-3-2-4-6-12/h2-10,20H,1H3,(H,22,26)(H,24,25)
InChIKeyCDIMCTZNVURGGB-UHFFFAOYSA-N
MW343.37 g/mol
LogP3.50
Rot. Bonds3

About CID 58084336

CID 58084336 (PubChem CID 58084336) has the molecular formula C19H15N6O and a molecular weight of 343.37 g/mol.

Molecular Properties

Compound NameCID 58084336
PubChem CID58084336
Molecular FormulaC19H15N6O
Molecular Weight343.37 g/mol
Exact Mass343.13
IUPAC Name—
SMILESCc1ccc2nc(-c3nc(C(=O)Nc4ccccc4)cnc3[NH])[nH]c2c1
InChIInChI=1S/C19H15N6O/c1-11-7-8-13-14(9-11)25-18(24-13)16-17(20)21-10-15(23-16)19(26)22-12-5-3-2-4-6-12/h2-10,20H,1H3,(H,22,26)(H,24,25)
InChIKeyCDIMCTZNVURGGB-UHFFFAOYSA-N
XLogP3.50
TPSA107.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.37
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 146021559
5-amino-6-(6-methyl-1H-benzimidazol-2-yl)-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
CID 54596779
N-[4-(6-benzamido-1H-benzimidazol-2-yl)phenyl]-2-chloro-4-methylbenzamide
CID 20695031
N-(3,5-dimethylphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)benzamide
CID 100578861
N-(4-bromophenyl)-4-(6-methyl-1H-benzimidazol-2-yl)benzamide
CID 100578973
N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-3-phenylpropanamide
CID 17297236
3-chloro-4-ethoxy-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide
CID 17297281
N-[2-[4-(methylamino)phenyl]-3H-benzimidazol-5-yl]pyridine-2-carboxamide
CID 142813059
ethane;3-methyl-N-[4-[6-[(3-methylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 142812938
1-methyl-N-[1-methyl-5-(6-methyl-1H-benzimidazol-2-yl)pyrrol-3-yl]imidazole-2-carboxamide
CID 143443588
N-(3,4-dimethylphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)benzamide
CID 100578851
3-bromo-4-methoxy-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide
CID 17360789

Frequently Asked Questions

What is the IUPAC name of CID 58084336?
The IUPAC name of CID 58084336 (CID 58084336) is not available.
What is the SMILES notation for CID 58084336?
The canonical SMILES for CID 58084336 is Cc1ccc2nc(-c3nc(C(=O)Nc4ccccc4)cnc3[NH])[nH]c2c1.
What is the InChIKey of CID 58084336?
The InChIKey is CDIMCTZNVURGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N6O/c1-11-7-8-13-14(9-11)25-18(24-13)16-17(20)21-10-15(23-16)19(26)22-12-5-3-2-4-6-12/h2-10,20H,1H3,(H,22,26)(H,24,25).
What are the key properties of CID 58084336?
CID 58084336 has a molecular weight of 343.37 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58084336 is sourced from PubChem (CID 58084336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).