2-ethyl-N-(2-morpholin-4-ylethyl)-3H-benzimidazole-5-carboxamide

C16H22N4O2 — CID 110765508

IUPAC2-ethyl-N-(2-morpholin-4-ylethyl)-3H-benzimidazole-5-carboxamide
SMILESCCc1nc2ccc(C(=O)NCCN3CCOCC3)cc2[nH]1
InChIInChI=1S/C16H22N4O2/c1-2-15-18-13-4-3-12(11-14(13)19-15)16(21)17-5-6-20-7-9-22-10-8-20/h3-4,11H,2,5-10H2,1H3,(H,17,21)(H,18,19)
InChIKeyNRJMZSBXTVPFPS-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.19
Rot. Bonds5

About 2-ethyl-N-(2-morpholin-4-ylethyl)-3H-benzimidazole-5-carboxamide

2-ethyl-N-(2-morpholin-4-ylethyl)-3H-benzimidazole-5-carboxamide (PubChem CID 110765508) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-ethyl-N-(2-morpholin-4-ylethyl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-(2-morpholin-4-ylethyl)-3H-benzimidazole-5-carboxamide
PubChem CID110765508
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name2-ethyl-N-(2-morpholin-4-ylethyl)-3H-benzimidazole-5-carboxamide
SMILESCCc1nc2ccc(C(=O)NCCN3CCOCC3)cc2[nH]1
InChIInChI=1S/C16H22N4O2/c1-2-15-18-13-4-3-12(11-14(13)19-15)16(21)17-5-6-20-7-9-22-10-8-20/h3-4,11H,2,5-10H2,1H3,(H,17,21)(H,18,19)
InChIKeyNRJMZSBXTVPFPS-UHFFFAOYSA-N
XLogP1.19
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-N-(2-morpholin-4-ylethyl)-3H-benzimidazol-5-amine
CID 96680191
2-ethyl-N-(2-methoxyethyl)-3H-benzimidazole-5-carboxamide
CID 110765503
N-(2-morpholin-4-ylethyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 23474561
2-ethyl-N-(3-methoxypropyl)-3H-benzimidazole-5-carboxamide
CID 110765504
6-(2-morpholin-4-ylethylcarbamoyl)-1H-indole-2-carboxylic acid
CID 19608777
3-bromo-N-(2-morpholin-4-ylethyl)benzamide
CID 669309
6-methyl-N-(2-morpholin-4-ylethyl)naphthalene-2-carboxamide
CID 142825868
2-ethyl-N-[2-(2-fluorophenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 110765535
3-chloro-N-(2-morpholin-4-ylethyl)benzamide
CID 669179
N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]-2-[4-[6-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethylcarbamoyl]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazole-5-carboxamide
CID 138649285
2-amino-N-(2-morpholin-4-ylethyl)-1,3-benzothiazole-6-carboxamide
CID 60636910
N-(2-morpholin-4-ylethyl)-6-oxo-5H-phenanthridine-3-carboxamide
CID 10132635

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(2-morpholin-4-ylethyl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-ethyl-N-(2-morpholin-4-ylethyl)-3H-benzimidazole-5-carboxamide (CID 110765508) is 2-ethyl-N-(2-morpholin-4-ylethyl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-ethyl-N-(2-morpholin-4-ylethyl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-ethyl-N-(2-morpholin-4-ylethyl)-3H-benzimidazole-5-carboxamide is CCc1nc2ccc(C(=O)NCCN3CCOCC3)cc2[nH]1.
What is the InChIKey of 2-ethyl-N-(2-morpholin-4-ylethyl)-3H-benzimidazole-5-carboxamide?
The InChIKey is NRJMZSBXTVPFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-2-15-18-13-4-3-12(11-14(13)19-15)16(21)17-5-6-20-7-9-22-10-8-20/h3-4,11H,2,5-10H2,1H3,(H,17,21)(H,18,19).
What are the key properties of 2-ethyl-N-(2-morpholin-4-ylethyl)-3H-benzimidazole-5-carboxamide?
2-ethyl-N-(2-morpholin-4-ylethyl)-3H-benzimidazole-5-carboxamide has a molecular weight of 302.38 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(2-morpholin-4-ylethyl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 110765508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).