N-[2-(1-propan-2-ylbenzimidazol-5-yl)ethyl]pyridine-2-carboxamide

C18H20N4O — CID 110796167

IUPACN-[2-(1-propan-2-ylbenzimidazol-5-yl)ethyl]pyridine-2-carboxamide
SMILESCC(C)n1cnc2cc(CCNC(=O)c3ccccn3)ccc21
InChIInChI=1S/C18H20N4O/c1-13(2)22-12-21-16-11-14(6-7-17(16)22)8-10-20-18(23)15-5-3-4-9-19-15/h3-7,9,11-13H,8,10H2,1-2H3,(H,20,23)
InChIKeyCXFMMQXDEBHEMW-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.98
Rot. Bonds5

About N-[2-(1-propan-2-ylbenzimidazol-5-yl)ethyl]pyridine-2-carboxamide

N-[2-(1-propan-2-ylbenzimidazol-5-yl)ethyl]pyridine-2-carboxamide (PubChem CID 110796167) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[2-(1-propan-2-ylbenzimidazol-5-yl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1-propan-2-ylbenzimidazol-5-yl)ethyl]pyridine-2-carboxamide
PubChem CID110796167
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC NameN-[2-(1-propan-2-ylbenzimidazol-5-yl)ethyl]pyridine-2-carboxamide
SMILESCC(C)n1cnc2cc(CCNC(=O)c3ccccn3)ccc21
InChIInChI=1S/C18H20N4O/c1-13(2)22-12-21-16-11-14(6-7-17(16)22)8-10-20-18(23)15-5-3-4-9-19-15/h3-7,9,11-13H,8,10H2,1-2H3,(H,20,23)
InChIKeyCXFMMQXDEBHEMW-UHFFFAOYSA-N
XLogP2.98
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1-propan-2-ylbenzimidazol-5-yl)ethyl]pyrazine-2-carboxamide
CID 110796168
2,2-dimethyl-N-[2-(1-propan-2-ylbenzimidazol-5-yl)ethyl]propanamide
CID 110791708
N-benzyl-2-(1-propan-2-ylbenzimidazol-5-yl)acetamide
CID 110773039
2-(2-methylphenyl)-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]acetamide
CID 50844785
N-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]pyridine-2-carboxamide
CID 110796141
N-pentyl-2-(1-propan-2-ylbenzimidazol-5-yl)acetamide
CID 110773064
N-[2-(1,3-benzoxazol-6-yl)ethyl]pyridine-2-carboxamide
CID 110796039
N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]pyridine-2-carboxamide
CID 110794782
N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]pyridine-3-carboxamide
CID 50844462
N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 2516124
N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]pyridine-3-carboxamide;hydrochloride
CID 110785908
(1-propan-2-ylbenzimidazol-5-yl)methanol
CID 68642679

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-propan-2-ylbenzimidazol-5-yl)ethyl]pyridine-2-carboxamide?
The IUPAC name of N-[2-(1-propan-2-ylbenzimidazol-5-yl)ethyl]pyridine-2-carboxamide (CID 110796167) is N-[2-(1-propan-2-ylbenzimidazol-5-yl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(1-propan-2-ylbenzimidazol-5-yl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for N-[2-(1-propan-2-ylbenzimidazol-5-yl)ethyl]pyridine-2-carboxamide is CC(C)n1cnc2cc(CCNC(=O)c3ccccn3)ccc21.
What is the InChIKey of N-[2-(1-propan-2-ylbenzimidazol-5-yl)ethyl]pyridine-2-carboxamide?
The InChIKey is CXFMMQXDEBHEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-13(2)22-12-21-16-11-14(6-7-17(16)22)8-10-20-18(23)15-5-3-4-9-19-15/h3-7,9,11-13H,8,10H2,1-2H3,(H,20,23).
What are the key properties of N-[2-(1-propan-2-ylbenzimidazol-5-yl)ethyl]pyridine-2-carboxamide?
N-[2-(1-propan-2-ylbenzimidazol-5-yl)ethyl]pyridine-2-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-propan-2-ylbenzimidazol-5-yl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 110796167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).