N-[[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide

C28H35N5O2 — CID 16964062

IUPACN-[[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1nc2ccccc2n1CC(=O)N(C1CCCCC1)C1CCCCC1)c1cccnc1
InChIInChI=1S/C28H35N5O2/c34-27(33(22-11-3-1-4-12-22)23-13-5-2-6-14-23)20-32-25-16-8-7-15-24(25)31-26(32)19-30-28(35)21-10-9-17-29-18-21/h7-10,15-18,22-23H,1-6,11-14,19-20H2,(H,30,35)
InChIKeyIUDMINQREZUAML-UHFFFAOYSA-N
MW473.62 g/mol
LogP4.86
Rot. Bonds7

About N-[[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide

N-[[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide (PubChem CID 16964062) has the molecular formula C28H35N5O2 and a molecular weight of 473.62 g/mol. Its IUPAC name is N-[[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide
PubChem CID16964062
Molecular FormulaC28H35N5O2
Molecular Weight473.62 g/mol
Exact Mass473.28
IUPAC NameN-[[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1nc2ccccc2n1CC(=O)N(C1CCCCC1)C1CCCCC1)c1cccnc1
InChIInChI=1S/C28H35N5O2/c34-27(33(22-11-3-1-4-12-22)23-13-5-2-6-14-23)20-32-25-16-8-7-15-24(25)31-26(32)19-30-28(35)21-10-9-17-29-18-21/h7-10,15-18,22-23H,1-6,11-14,19-20H2,(H,30,35)
InChIKeyIUDMINQREZUAML-UHFFFAOYSA-N
XLogP4.86
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.62
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide
CID 16964061
2-chloro-N-[[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17007564
N-[[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-ethylbutanamide
CID 17006501
N-[[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-3-phenylpropanamide
CID 16970743
N-[(1-cyclopropylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 110712108
propan-2-yl 2-[2-[(pyridine-3-carbonylamino)methyl]benzimidazol-1-yl]acetate
CID 16964057
N-[[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-N-methylpyridine-4-carboxamide
CID 16965844
2-[2-(2-acetamidoethyl)benzimidazol-1-yl]-N,N-dicyclohexylacetamide
CID 16974247
N-[(1-butylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 16963912
N,N-dicyclohexyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 16997064
N-[3-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide
CID 16964522
N-[2-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16964363

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-[[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide (CID 16964062) is N-[[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide is O=C(NCc1nc2ccccc2n1CC(=O)N(C1CCCCC1)C1CCCCC1)c1cccnc1.
What is the InChIKey of N-[[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide?
The InChIKey is IUDMINQREZUAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N5O2/c34-27(33(22-11-3-1-4-12-22)23-13-5-2-6-14-23)20-32-25-16-8-7-15-24(25)31-26(32)19-30-28(35)21-10-9-17-29-18-21/h7-10,15-18,22-23H,1-6,11-14,19-20H2,(H,30,35).
What are the key properties of N-[[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide?
N-[[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide has a molecular weight of 473.62 g/mol, XLogP of 4.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 16964062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).