4-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]oxolane-3-carboxamide

C15H20N4O2 — CID 66235655

IUPAC4-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]oxolane-3-carboxamide
SMILESCc1nc2ccccc2n1CCNC(=O)C1COCC1N
InChIInChI=1S/C15H20N4O2/c1-10-18-13-4-2-3-5-14(13)19(10)7-6-17-15(20)11-8-21-9-12(11)16/h2-5,11-12H,6-9,16H2,1H3,(H,17,20)
InChIKeyQAZTWZUICSWAHA-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.43
Rot. Bonds4

About 4-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]oxolane-3-carboxamide

4-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]oxolane-3-carboxamide (PubChem CID 66235655) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]oxolane-3-carboxamide
PubChem CID66235655
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name4-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]oxolane-3-carboxamide
SMILESCc1nc2ccccc2n1CCNC(=O)C1COCC1N
InChIInChI=1S/C15H20N4O2/c1-10-18-13-4-2-3-5-14(13)19(10)7-6-17-15(20)11-8-21-9-12(11)16/h2-5,11-12H,6-9,16H2,1H3,(H,17,20)
InChIKeyQAZTWZUICSWAHA-UHFFFAOYSA-N
XLogP0.43
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119835377
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-phenylpyrazolidine-4-carboxamide
CID 74648805
(2S)-2-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 78968968
(2S)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-2-carboxamide
CID 103813344
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 61274604
(2S)-2-amino-4-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pentanamide
CID 61274419
2-(cyclopropylmethylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
CID 61273474
4-acetyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 18120788
(3S)-6-chloro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 40669699
(2R)-2-amino-3,3-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide
CID 103929612
3-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide
CID 61276149
3-(cyclopropylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 61276333

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]oxolane-3-carboxamide?
The IUPAC name of 4-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]oxolane-3-carboxamide (CID 66235655) is 4-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]oxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]oxolane-3-carboxamide is Cc1nc2ccccc2n1CCNC(=O)C1COCC1N.
What is the InChIKey of 4-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]oxolane-3-carboxamide?
The InChIKey is QAZTWZUICSWAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-10-18-13-4-2-3-5-14(13)19(10)7-6-17-15(20)11-8-21-9-12(11)16/h2-5,11-12H,6-9,16H2,1H3,(H,17,20).
What are the key properties of 4-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]oxolane-3-carboxamide?
4-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]oxolane-3-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]oxolane-3-carboxamide is sourced from PubChem (CID 66235655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).