N-[(2-thiophen-2-yl-3-pyridinyl)methyl]-3H-benzimidazole-5-carboxamide

C18H14N4OS — CID 91625791

IUPACN-[(2-thiophen-2-yl-3-pyridinyl)methyl]-3H-benzimidazole-5-carboxamide
SMILESO=C(NCc1cccnc1-c1cccs1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C18H14N4OS/c23-18(12-5-6-14-15(9-12)22-11-21-14)20-10-13-3-1-7-19-17(13)16-4-2-8-24-16/h1-9,11H,10H2,(H,20,23)(H,21,22)
InChIKeyMHMQHZQZMSVJQZ-UHFFFAOYSA-N
MW334.40 g/mol
LogP3.62
Rot. Bonds4

About N-[(2-thiophen-2-yl-3-pyridinyl)methyl]-3H-benzimidazole-5-carboxamide

N-[(2-thiophen-2-yl-3-pyridinyl)methyl]-3H-benzimidazole-5-carboxamide (PubChem CID 91625791) has the molecular formula C18H14N4OS and a molecular weight of 334.40 g/mol. Its IUPAC name is N-[(2-thiophen-2-yl-3-pyridinyl)methyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-thiophen-2-yl-3-pyridinyl)methyl]-3H-benzimidazole-5-carboxamide
PubChem CID91625791
Molecular FormulaC18H14N4OS
Molecular Weight334.40 g/mol
Exact Mass334.09
IUPAC NameN-[(2-thiophen-2-yl-3-pyridinyl)methyl]-3H-benzimidazole-5-carboxamide
SMILESO=C(NCc1cccnc1-c1cccs1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C18H14N4OS/c23-18(12-5-6-14-15(9-12)22-11-21-14)20-10-13-3-1-7-19-17(13)16-4-2-8-24-16/h1-9,11H,10H2,(H,20,23)(H,21,22)
InChIKeyMHMQHZQZMSVJQZ-UHFFFAOYSA-N
XLogP3.62
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-thiophen-2-yl-3-pyridinyl)methyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[(2-thiophen-2-yl-3-pyridinyl)methyl]-3H-benzimidazole-5-carboxamide (CID 91625791) is N-[(2-thiophen-2-yl-3-pyridinyl)methyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[(2-thiophen-2-yl-3-pyridinyl)methyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[(2-thiophen-2-yl-3-pyridinyl)methyl]-3H-benzimidazole-5-carboxamide is O=C(NCc1cccnc1-c1cccs1)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-[(2-thiophen-2-yl-3-pyridinyl)methyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is MHMQHZQZMSVJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4OS/c23-18(12-5-6-14-15(9-12)22-11-21-14)20-10-13-3-1-7-19-17(13)16-4-2-8-24-16/h1-9,11H,10H2,(H,20,23)(H,21,22).
What are the key properties of N-[(2-thiophen-2-yl-3-pyridinyl)methyl]-3H-benzimidazole-5-carboxamide?
N-[(2-thiophen-2-yl-3-pyridinyl)methyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 334.40 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-thiophen-2-yl-3-pyridinyl)methyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 91625791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).