N-[2-(1-methylpyrrol-2-yl)-3H-benzimidazol-5-yl]thiophene-2-carboxamide

C17H14N4OS — CID 828652

IUPACN-[2-(1-methylpyrrol-2-yl)-3H-benzimidazol-5-yl]thiophene-2-carboxamide
SMILESCn1cccc1-c1nc2ccc(NC(=O)c3cccs3)cc2[nH]1
InChIInChI=1S/C17H14N4OS/c1-21-8-2-4-14(21)16-19-12-7-6-11(10-13(12)20-16)18-17(22)15-5-3-9-23-15/h2-10H,1H3,(H,18,22)(H,19,20)
InChIKeyMNTDPIJLJLAUGC-UHFFFAOYSA-N
MW322.39 g/mol
LogP3.88
Rot. Bonds3

About N-[2-(1-methylpyrrol-2-yl)-3H-benzimidazol-5-yl]thiophene-2-carboxamide

N-[2-(1-methylpyrrol-2-yl)-3H-benzimidazol-5-yl]thiophene-2-carboxamide (PubChem CID 828652) has the molecular formula C17H14N4OS and a molecular weight of 322.39 g/mol. Its IUPAC name is N-[2-(1-methylpyrrol-2-yl)-3H-benzimidazol-5-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1-methylpyrrol-2-yl)-3H-benzimidazol-5-yl]thiophene-2-carboxamide
PubChem CID828652
Molecular FormulaC17H14N4OS
Molecular Weight322.39 g/mol
Exact Mass322.09
IUPAC NameN-[2-(1-methylpyrrol-2-yl)-3H-benzimidazol-5-yl]thiophene-2-carboxamide
SMILESCn1cccc1-c1nc2ccc(NC(=O)c3cccs3)cc2[nH]1
InChIInChI=1S/C17H14N4OS/c1-21-8-2-4-14(21)16-19-12-7-6-11(10-13(12)20-16)18-17(22)15-5-3-9-23-15/h2-10H,1H3,(H,18,22)(H,19,20)
InChIKeyMNTDPIJLJLAUGC-UHFFFAOYSA-N
XLogP3.88
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpyrrol-2-yl)-3H-benzimidazol-5-yl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(1-methylpyrrol-2-yl)-3H-benzimidazol-5-yl]thiophene-2-carboxamide (CID 828652) is N-[2-(1-methylpyrrol-2-yl)-3H-benzimidazol-5-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(1-methylpyrrol-2-yl)-3H-benzimidazol-5-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(1-methylpyrrol-2-yl)-3H-benzimidazol-5-yl]thiophene-2-carboxamide is Cn1cccc1-c1nc2ccc(NC(=O)c3cccs3)cc2[nH]1.
What is the InChIKey of N-[2-(1-methylpyrrol-2-yl)-3H-benzimidazol-5-yl]thiophene-2-carboxamide?
The InChIKey is MNTDPIJLJLAUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4OS/c1-21-8-2-4-14(21)16-19-12-7-6-11(10-13(12)20-16)18-17(22)15-5-3-9-23-15/h2-10H,1H3,(H,18,22)(H,19,20).
What are the key properties of N-[2-(1-methylpyrrol-2-yl)-3H-benzimidazol-5-yl]thiophene-2-carboxamide?
N-[2-(1-methylpyrrol-2-yl)-3H-benzimidazol-5-yl]thiophene-2-carboxamide has a molecular weight of 322.39 g/mol, XLogP of 3.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpyrrol-2-yl)-3H-benzimidazol-5-yl]thiophene-2-carboxamide is sourced from PubChem (CID 828652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).