N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide

C21H26N6O — CID 86858410

IUPACN-[1-(1-ethylbenzimidazol-2-yl)ethyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
SMILESCCn1c(C(C)NC(=O)C2CCN(c3ncccn3)CC2)nc2ccccc21
InChIInChI=1S/C21H26N6O/c1-3-27-18-8-5-4-7-17(18)25-19(27)15(2)24-20(28)16-9-13-26(14-10-16)21-22-11-6-12-23-21/h4-8,11-12,15-16H,3,9-10,13-14H2,1-2H3,(H,24,28)
InChIKeyNMVPFHFPPFRHIQ-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.94
Rot. Bonds5

About N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide

N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide (PubChem CID 86858410) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(1-ethylbenzimidazol-2-yl)ethyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
PubChem CID86858410
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC NameN-[1-(1-ethylbenzimidazol-2-yl)ethyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
SMILESCCn1c(C(C)NC(=O)C2CCN(c3ncccn3)CC2)nc2ccccc21
InChIInChI=1S/C21H26N6O/c1-3-27-18-8-5-4-7-17(18)25-19(27)15(2)24-20(28)16-9-13-26(14-10-16)21-22-11-6-12-23-21/h4-8,11-12,15-16H,3,9-10,13-14H2,1-2H3,(H,24,28)
InChIKeyNMVPFHFPPFRHIQ-UHFFFAOYSA-N
XLogP2.94
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(1-hexadecylbenzimidazol-2-yl)ethyl]cyclopropanecarboxamide
CID 16969632
3-amino-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119866217
N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 119866267
N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 119866268
N-[1-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
CID 16969660
(2S,5R)-5-(aminomethyl)-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide
CID 120799188
N-[1-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
CID 16969673
2-ethyl-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]butanamide
CID 16968998
N-[1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
CID 16968280
N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
CID 16968262
N-[1-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
CID 16969701
N-[1-[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
CID 16968279

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide (CID 86858410) is N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide is CCn1c(C(C)NC(=O)C2CCN(c3ncccn3)CC2)nc2ccccc21.
What is the InChIKey of N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The InChIKey is NMVPFHFPPFRHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O/c1-3-27-18-8-5-4-7-17(18)25-19(27)15(2)24-20(28)16-9-13-26(14-10-16)21-22-11-6-12-23-21/h4-8,11-12,15-16H,3,9-10,13-14H2,1-2H3,(H,24,28).
What are the key properties of N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide?
N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 86858410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).