N-[1-(2-methylpropyl)benzimidazol-2-yl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide

C21H26N4O3 — CID 157012475

IUPACN-[1-(2-methylpropyl)benzimidazol-2-yl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide
SMILESCC(C)Cn1c(NC(=O)c2coc(CN3CCOCC3)c2)nc2ccccc21
InChIInChI=1S/C21H26N4O3/c1-15(2)12-25-19-6-4-3-5-18(19)22-21(25)23-20(26)16-11-17(28-14-16)13-24-7-9-27-10-8-24/h3-6,11,14-15H,7-10,12-13H2,1-2H3,(H,22,23,26)
InChIKeyNOBGFTOLOCLLJV-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.37
Rot. Bonds6

About N-[1-(2-methylpropyl)benzimidazol-2-yl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide

N-[1-(2-methylpropyl)benzimidazol-2-yl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide (PubChem CID 157012475) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[1-(2-methylpropyl)benzimidazol-2-yl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methylpropyl)benzimidazol-2-yl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide
PubChem CID157012475
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC NameN-[1-(2-methylpropyl)benzimidazol-2-yl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide
SMILESCC(C)Cn1c(NC(=O)c2coc(CN3CCOCC3)c2)nc2ccccc21
InChIInChI=1S/C21H26N4O3/c1-15(2)12-25-19-6-4-3-5-18(19)22-21(25)23-20(26)16-11-17(28-14-16)13-24-7-9-27-10-8-24/h3-6,11,14-15H,7-10,12-13H2,1-2H3,(H,22,23,26)
InChIKeyNOBGFTOLOCLLJV-UHFFFAOYSA-N
XLogP3.37
TPSA72.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]-2-phenoxypropanamide
CID 56725089
N-[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide
CID 125172950
4-iodo-1-methyl-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]pyrazole-3-carboxamide
CID 1028481
(2S)-3-(2-ethylbenzimidazol-1-yl)-2-methyl-N-[2-(morpholin-4-ylmethyl)phenyl]propanamide
CID 51594515
4-[4-(2-methylpropyl)-3-oxoquinoxalin-2-yl]-N-(2-morpholin-4-ylethyl)benzamide
CID 50838551
4-chloro-1-methyl-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]pyrazole-3-carboxamide
CID 17026881
5-(morpholin-4-ylmethyl)-N-[(1R)-1-phenyl-2-pyrazol-1-ylethyl]furan-3-carboxamide
CID 97189860
3-methoxy-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 91956377
2-(4-bromophenyl)-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]acetamide
CID 39855257
5-[[2-[(1-methylpiperidin-4-yl)amino]benzimidazol-1-yl]methyl]furan-3-carboxylic acid
CID 67885256
N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 91959274
N-[1-(3-methyl-2-pyridinyl)propan-2-yl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide
CID 118788788

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylpropyl)benzimidazol-2-yl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide?
The IUPAC name of N-[1-(2-methylpropyl)benzimidazol-2-yl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide (CID 157012475) is N-[1-(2-methylpropyl)benzimidazol-2-yl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide.
What is the SMILES notation for N-[1-(2-methylpropyl)benzimidazol-2-yl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide?
The canonical SMILES for N-[1-(2-methylpropyl)benzimidazol-2-yl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide is CC(C)Cn1c(NC(=O)c2coc(CN3CCOCC3)c2)nc2ccccc21.
What is the InChIKey of N-[1-(2-methylpropyl)benzimidazol-2-yl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide?
The InChIKey is NOBGFTOLOCLLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-15(2)12-25-19-6-4-3-5-18(19)22-21(25)23-20(26)16-11-17(28-14-16)13-24-7-9-27-10-8-24/h3-6,11,14-15H,7-10,12-13H2,1-2H3,(H,22,23,26).
What are the key properties of N-[1-(2-methylpropyl)benzimidazol-2-yl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide?
N-[1-(2-methylpropyl)benzimidazol-2-yl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylpropyl)benzimidazol-2-yl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide is sourced from PubChem (CID 157012475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).