(2R)-N-(2-butyl-3H-benzimidazol-5-yl)morpholine-2-carboxamide

C16H22N4O2 — CID 126779606

IUPAC(2R)-N-(2-butyl-3H-benzimidazol-5-yl)morpholine-2-carboxamide
SMILESCCCCc1nc2ccc(NC(=O)[C@H]3CNCCO3)cc2[nH]1
InChIInChI=1S/C16H22N4O2/c1-2-3-4-15-19-12-6-5-11(9-13(12)20-15)18-16(21)14-10-17-7-8-22-14/h5-6,9,14,17H,2-4,7-8,10H2,1H3,(H,18,21)(H,19,20)/t14-/m1/s1
InChIKeyBCYNJVRKKPGNIR-CQSZACIVSA-N
MW302.38 g/mol
LogP1.83
Rot. Bonds5

About (2R)-N-(2-butyl-3H-benzimidazol-5-yl)morpholine-2-carboxamide

(2R)-N-(2-butyl-3H-benzimidazol-5-yl)morpholine-2-carboxamide (PubChem CID 126779606) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is (2R)-N-(2-butyl-3H-benzimidazol-5-yl)morpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2-butyl-3H-benzimidazol-5-yl)morpholine-2-carboxamide
PubChem CID126779606
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name(2R)-N-(2-butyl-3H-benzimidazol-5-yl)morpholine-2-carboxamide
SMILESCCCCc1nc2ccc(NC(=O)[C@H]3CNCCO3)cc2[nH]1
InChIInChI=1S/C16H22N4O2/c1-2-3-4-15-19-12-6-5-11(9-13(12)20-15)18-16(21)14-10-17-7-8-22-14/h5-6,9,14,17H,2-4,7-8,10H2,1H3,(H,18,21)(H,19,20)/t14-/m1/s1
InChIKeyBCYNJVRKKPGNIR-CQSZACIVSA-N
XLogP1.83
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-butyl-3H-benzimidazol-5-yl)morpholine-3-carboxamide
CID 119854376
N-[3-(1H-benzimidazol-2-yl)propyl]morpholine-2-carboxamide
CID 119838296
N-(4-pentylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119686937
2-amino-N-(2-butyl-3H-benzimidazol-5-yl)acetamide;dihydrochloride
CID 119854415
(2R)-N-[2-(1H-benzimidazol-2-yl)ethyl]morpholine-2-carboxamide
CID 99824773
N-quinoxalin-6-ylmorpholine-2-carboxamide;hydrochloride
CID 119708415
N-(2-ethyl-1,3-benzoxazol-5-yl)morpholine-2-carboxamide;hydrochloride
CID 119725986
N-(2-butyl-3H-benzimidazol-5-yl)-1-propanoylpiperidine-3-carboxamide
CID 86860041
N-(3-butoxyphenyl)morpholine-2-carboxamide;hydrochloride
CID 119745760
3-amino-N-(2-butyl-3H-benzimidazol-5-yl)-2-methylbutanamide;dihydrochloride
CID 120503091
4-(aminomethyl)-N-(2-butyl-3H-benzimidazol-5-yl)benzamide
CID 119854404
N-(3-ethylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119675709

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-butyl-3H-benzimidazol-5-yl)morpholine-2-carboxamide?
The IUPAC name of (2R)-N-(2-butyl-3H-benzimidazol-5-yl)morpholine-2-carboxamide (CID 126779606) is (2R)-N-(2-butyl-3H-benzimidazol-5-yl)morpholine-2-carboxamide.
What is the SMILES notation for (2R)-N-(2-butyl-3H-benzimidazol-5-yl)morpholine-2-carboxamide?
The canonical SMILES for (2R)-N-(2-butyl-3H-benzimidazol-5-yl)morpholine-2-carboxamide is CCCCc1nc2ccc(NC(=O)[C@H]3CNCCO3)cc2[nH]1.
What is the InChIKey of (2R)-N-(2-butyl-3H-benzimidazol-5-yl)morpholine-2-carboxamide?
The InChIKey is BCYNJVRKKPGNIR-CQSZACIVSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-2-3-4-15-19-12-6-5-11(9-13(12)20-15)18-16(21)14-10-17-7-8-22-14/h5-6,9,14,17H,2-4,7-8,10H2,1H3,(H,18,21)(H,19,20)/t14-/m1/s1.
What are the key properties of (2R)-N-(2-butyl-3H-benzimidazol-5-yl)morpholine-2-carboxamide?
(2R)-N-(2-butyl-3H-benzimidazol-5-yl)morpholine-2-carboxamide has a molecular weight of 302.38 g/mol, XLogP of 1.83, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-butyl-3H-benzimidazol-5-yl)morpholine-2-carboxamide is sourced from PubChem (CID 126779606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).