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

C21H24N4O2 — CID 119770764

IUPACN-[1-(3-phenylpropyl)benzimidazol-2-yl]morpholine-2-carboxamide
SMILESO=C(Nc1nc2ccccc2n1CCCc1ccccc1)C1CNCCO1
InChIInChI=1S/C21H24N4O2/c26-20(19-15-22-12-14-27-19)24-21-23-17-10-4-5-11-18(17)25(21)13-6-9-16-7-2-1-3-8-16/h1-5,7-8,10-11,19,22H,6,9,12-15H2,(H,23,24,26)
InChIKeyNONFJZLGMZYIOY-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.60
Rot. Bonds6

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

N-[1-(3-phenylpropyl)benzimidazol-2-yl]morpholine-2-carboxamide (PubChem CID 119770764) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[1-(3-phenylpropyl)benzimidazol-2-yl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3-phenylpropyl)benzimidazol-2-yl]morpholine-2-carboxamide
PubChem CID119770764
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC NameN-[1-(3-phenylpropyl)benzimidazol-2-yl]morpholine-2-carboxamide
SMILESO=C(Nc1nc2ccccc2n1CCCc1ccccc1)C1CNCCO1
InChIInChI=1S/C21H24N4O2/c26-20(19-15-22-12-14-27-19)24-21-23-17-10-4-5-11-18(17)25(21)13-6-9-16-7-2-1-3-8-16/h1-5,7-8,10-11,19,22H,6,9,12-15H2,(H,23,24,26)
InChIKeyNONFJZLGMZYIOY-UHFFFAOYSA-N
XLogP2.60
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]morpholine-2-carboxamide
CID 119888867
3-[4-(morpholine-2-carbonylamino)phenyl]propanoic acid
CID 115340051
N-[4-(phenylmethoxymethyl)phenyl]morpholine-2-carboxamide
CID 119794533
(2R)-N-(1-methylbenzimidazol-2-yl)oxolane-2-carboxamide
CID 35280653
N-[4-(phenylmethoxymethyl)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119794532
N-(4-pentylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119686937
(2R)-N-[4-(benzimidazol-1-yl)phenyl]morpholine-2-carboxamide;dihydrochloride
CID 126785065
N-[1-(3-phenylpropanoyl)piperidin-4-yl]morpholine-2-carboxamide;hydrochloride
CID 119735145
N-(1-benzylpiperidin-4-yl)morpholine-2-carboxamide
CID 119827619
N-(1-propylbenzimidazol-2-yl)piperidine-4-carboxamide;hydrochloride
CID 119265083
N-[5-methyl-1-(4-methylphenyl)benzimidazol-2-yl]morpholine-2-carboxamide
CID 119800639
4-[3-[2-(piperidine-4-carbonyl)benzimidazol-1-yl]propyl]benzoic acid
CID 140992645

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-phenylpropyl)benzimidazol-2-yl]morpholine-2-carboxamide?
The IUPAC name of N-[1-(3-phenylpropyl)benzimidazol-2-yl]morpholine-2-carboxamide (CID 119770764) is N-[1-(3-phenylpropyl)benzimidazol-2-yl]morpholine-2-carboxamide.
What is the SMILES notation for N-[1-(3-phenylpropyl)benzimidazol-2-yl]morpholine-2-carboxamide?
The canonical SMILES for N-[1-(3-phenylpropyl)benzimidazol-2-yl]morpholine-2-carboxamide is O=C(Nc1nc2ccccc2n1CCCc1ccccc1)C1CNCCO1.
What is the InChIKey of N-[1-(3-phenylpropyl)benzimidazol-2-yl]morpholine-2-carboxamide?
The InChIKey is NONFJZLGMZYIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c26-20(19-15-22-12-14-27-19)24-21-23-17-10-4-5-11-18(17)25(21)13-6-9-16-7-2-1-3-8-16/h1-5,7-8,10-11,19,22H,6,9,12-15H2,(H,23,24,26).
What are the key properties of N-[1-(3-phenylpropyl)benzimidazol-2-yl]morpholine-2-carboxamide?
N-[1-(3-phenylpropyl)benzimidazol-2-yl]morpholine-2-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-phenylpropyl)benzimidazol-2-yl]morpholine-2-carboxamide is sourced from PubChem (CID 119770764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).