2-(cyclopropylmethoxy)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide

C16H21N3O2 — CID 51080822

IUPAC2-(cyclopropylmethoxy)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
SMILESCc1nc2ccccc2n1CCNC(=O)COCC1CC1
InChIInChI=1S/C16H21N3O2/c1-12-18-14-4-2-3-5-15(14)19(12)9-8-17-16(20)11-21-10-13-6-7-13/h2-5,13H,6-11H2,1H3,(H,17,20)
InChIKeyMFGKHAYTYXBAFF-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.89
Rot. Bonds7

About 2-(cyclopropylmethoxy)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide

2-(cyclopropylmethoxy)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide (PubChem CID 51080822) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
PubChem CID51080822
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-(cyclopropylmethoxy)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
SMILESCc1nc2ccccc2n1CCNC(=O)COCC1CC1
InChIInChI=1S/C16H21N3O2/c1-12-18-14-4-2-3-5-15(14)19(12)9-8-17-16(20)11-21-10-13-6-7-13/h2-5,13H,6-11H2,1H3,(H,17,20)
InChIKeyMFGKHAYTYXBAFF-UHFFFAOYSA-N
XLogP1.89
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylmethylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
CID 61273474
3-cyclopentyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 18086784
3-(cyclopropylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 61276333
2-[(1R)-cyclopent-2-en-1-yl]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
CID 40716683
2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
CID 18120767
N-[2-[2-(2-methylbenzimidazol-1-yl)ethylamino]-2-oxoethyl]cyclohexanecarboxamide
CID 24554300
2-(4-methoxyphenyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
CID 40716430
3-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide
CID 61276149
3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 18120811
3-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119835377
tert-butyl N-[3-[2-(2-methylbenzimidazol-1-yl)ethylamino]-3-oxopropyl]carbamate
CID 40716757
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-phenoxybutanamide
CID 40716506

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxy)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide?
The IUPAC name of 2-(cyclopropylmethoxy)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide (CID 51080822) is 2-(cyclopropylmethoxy)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(cyclopropylmethoxy)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(cyclopropylmethoxy)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide is Cc1nc2ccccc2n1CCNC(=O)COCC1CC1.
What is the InChIKey of 2-(cyclopropylmethoxy)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide?
The InChIKey is MFGKHAYTYXBAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-12-18-14-4-2-3-5-15(14)19(12)9-8-17-16(20)11-21-10-13-6-7-13/h2-5,13H,6-11H2,1H3,(H,17,20).
What are the key properties of 2-(cyclopropylmethoxy)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide?
2-(cyclopropylmethoxy)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide has a molecular weight of 287.36 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide is sourced from PubChem (CID 51080822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).