N-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]pyridine-2-carboxamide

C18H20N4O — CID 110796141

IUPACN-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]pyridine-2-carboxamide
SMILESCC(C)c1nc2ccc(CCNC(=O)c3ccccn3)cc2[nH]1
InChIInChI=1S/C18H20N4O/c1-12(2)17-21-14-7-6-13(11-16(14)22-17)8-10-20-18(23)15-5-3-4-9-19-15/h3-7,9,11-12H,8,10H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyWFOXBSOUMIALGA-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.05
Rot. Bonds5

About N-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]pyridine-2-carboxamide

N-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]pyridine-2-carboxamide (PubChem CID 110796141) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]pyridine-2-carboxamide
PubChem CID110796141
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC NameN-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]pyridine-2-carboxamide
SMILESCC(C)c1nc2ccc(CCNC(=O)c3ccccn3)cc2[nH]1
InChIInChI=1S/C18H20N4O/c1-12(2)17-21-14-7-6-13(11-16(14)22-17)8-10-20-18(23)15-5-3-4-9-19-15/h3-7,9,11-12H,8,10H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyWFOXBSOUMIALGA-UHFFFAOYSA-N
XLogP3.05
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]cyclopropanecarboxamide
CID 110791569
N-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]pentanamide
CID 110791570
2-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethylamino]acetic acid
CID 112519291
N-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]benzamide
CID 110785727
2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethanol
CID 82491889
N-(2-acetamidoethyl)-2-(2-propan-2-yl-3H-benzimidazol-5-yl)acetamide
CID 110772843
N-[2-(1,3-benzoxazol-6-yl)ethyl]pyridine-2-carboxamide
CID 110796039
methyl 3-(2-propan-2-yl-3H-benzimidazol-5-yl)propanoate
CID 99991101
N-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]ethanesulfonamide
CID 110791583
N-[2-(1-propan-2-ylbenzimidazol-5-yl)ethyl]pyridine-2-carboxamide
CID 110796167
N-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 110796144
N-(2-methoxyethyl)-2-(2-propan-2-yl-3H-benzimidazol-5-yl)acetamide
CID 110772819

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]pyridine-2-carboxamide?
The IUPAC name of N-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]pyridine-2-carboxamide (CID 110796141) is N-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for N-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]pyridine-2-carboxamide is CC(C)c1nc2ccc(CCNC(=O)c3ccccn3)cc2[nH]1.
What is the InChIKey of N-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]pyridine-2-carboxamide?
The InChIKey is WFOXBSOUMIALGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-12(2)17-21-14-7-6-13(11-16(14)22-17)8-10-20-18(23)15-5-3-4-9-19-15/h3-7,9,11-12H,8,10H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of N-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]pyridine-2-carboxamide?
N-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]pyridine-2-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 110796141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).