N-[3-(1H-benzimidazol-2-yl)propyl]morpholine-2-carboxamide

C15H20N4O2 — CID 119838296

IUPACN-[3-(1H-benzimidazol-2-yl)propyl]morpholine-2-carboxamide
SMILESO=C(NCCCc1nc2ccccc2[nH]1)C1CNCCO1
InChIInChI=1S/C15H20N4O2/c20-15(13-10-16-8-9-21-13)17-7-3-6-14-18-11-4-1-2-5-12(11)19-14/h1-2,4-5,13,16H,3,6-10H2,(H,17,20)(H,18,19)
InChIKeyLDXQDVGDVHXERG-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.60
Rot. Bonds5

About N-[3-(1H-benzimidazol-2-yl)propyl]morpholine-2-carboxamide

N-[3-(1H-benzimidazol-2-yl)propyl]morpholine-2-carboxamide (PubChem CID 119838296) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)propyl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)propyl]morpholine-2-carboxamide
PubChem CID119838296
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC NameN-[3-(1H-benzimidazol-2-yl)propyl]morpholine-2-carboxamide
SMILESO=C(NCCCc1nc2ccccc2[nH]1)C1CNCCO1
InChIInChI=1S/C15H20N4O2/c20-15(13-10-16-8-9-21-13)17-7-3-6-14-18-11-4-1-2-5-12(11)19-14/h1-2,4-5,13,16H,3,6-10H2,(H,17,20)(H,18,19)
InChIKeyLDXQDVGDVHXERG-UHFFFAOYSA-N
XLogP0.60
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-[2-(1H-benzimidazol-2-yl)ethyl]morpholine-2-carboxamide
CID 99824773
trans-(1R,2R)-N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylcyclopropane-1-carboxamide
CID 29303561
N-[3-(1H-benzimidazol-2-yl)propyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 134032826
N-[3-(1H-1,2,4-triazol-5-yl)propyl]morpholine-2-carboxamide
CID 64531342
(2R)-N-(2-butyl-3H-benzimidazol-5-yl)morpholine-2-carboxamide
CID 126779606
3-[3-(1H-benzimidazol-2-yl)propyl]-1-methyl-1-[(3S)-oxolan-3-yl]urea
CID 99577755
N-(1H-benzimidazol-2-ylmethyl)-1,4-dioxane-2-carboxamide
CID 47178137
N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylpropanamide
CID 2140210
3-amino-N-[3-(1H-benzimidazol-2-yl)propyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119838264
N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]morpholine-2-carboxamide
CID 119888867
1-amino-N-[3-(1H-benzimidazol-2-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119838245
N-[3-(1H-benzimidazol-2-yl)propyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119838297

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)propyl]morpholine-2-carboxamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)propyl]morpholine-2-carboxamide (CID 119838296) is N-[3-(1H-benzimidazol-2-yl)propyl]morpholine-2-carboxamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)propyl]morpholine-2-carboxamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)propyl]morpholine-2-carboxamide is O=C(NCCCc1nc2ccccc2[nH]1)C1CNCCO1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)propyl]morpholine-2-carboxamide?
The InChIKey is LDXQDVGDVHXERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c20-15(13-10-16-8-9-21-13)17-7-3-6-14-18-11-4-1-2-5-12(11)19-14/h1-2,4-5,13,16H,3,6-10H2,(H,17,20)(H,18,19).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)propyl]morpholine-2-carboxamide?
N-[3-(1H-benzimidazol-2-yl)propyl]morpholine-2-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 0.60, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)propyl]morpholine-2-carboxamide is sourced from PubChem (CID 119838296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).