1-[2-(cyclopentylcarbamoylamino)ethyl]-2-methylbenzimidazole-5-carboxylic acid

C17H22N4O3 — CID 50742509

IUPAC1-[2-(cyclopentylcarbamoylamino)ethyl]-2-methylbenzimidazole-5-carboxylic acid
SMILESCc1nc2cc(C(=O)O)ccc2n1CCNC(=O)NC1CCCC1
InChIInChI=1S/C17H22N4O3/c1-11-19-14-10-12(16(22)23)6-7-15(14)21(11)9-8-18-17(24)20-13-4-2-3-5-13/h6-7,10,13H,2-5,8-9H2,1H3,(H,22,23)(H2,18,20,24)
InChIKeyMOSMEOOEEUBKOJ-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.28
Rot. Bonds5

About 1-[2-(cyclopentylcarbamoylamino)ethyl]-2-methylbenzimidazole-5-carboxylic acid

1-[2-(cyclopentylcarbamoylamino)ethyl]-2-methylbenzimidazole-5-carboxylic acid (PubChem CID 50742509) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 1-[2-(cyclopentylcarbamoylamino)ethyl]-2-methylbenzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name1-[2-(cyclopentylcarbamoylamino)ethyl]-2-methylbenzimidazole-5-carboxylic acid
PubChem CID50742509
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name1-[2-(cyclopentylcarbamoylamino)ethyl]-2-methylbenzimidazole-5-carboxylic acid
SMILESCc1nc2cc(C(=O)O)ccc2n1CCNC(=O)NC1CCCC1
InChIInChI=1S/C17H22N4O3/c1-11-19-14-10-12(16(22)23)6-7-15(14)21(11)9-8-18-17(24)20-13-4-2-3-5-13/h6-7,10,13H,2-5,8-9H2,1H3,(H,22,23)(H2,18,20,24)
InChIKeyMOSMEOOEEUBKOJ-UHFFFAOYSA-N
XLogP2.28
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopentylcarbamoylamino)ethyl]-2-methylbenzimidazole-5-carboxylic acid?
The IUPAC name of 1-[2-(cyclopentylcarbamoylamino)ethyl]-2-methylbenzimidazole-5-carboxylic acid (CID 50742509) is 1-[2-(cyclopentylcarbamoylamino)ethyl]-2-methylbenzimidazole-5-carboxylic acid.
What is the SMILES notation for 1-[2-(cyclopentylcarbamoylamino)ethyl]-2-methylbenzimidazole-5-carboxylic acid?
The canonical SMILES for 1-[2-(cyclopentylcarbamoylamino)ethyl]-2-methylbenzimidazole-5-carboxylic acid is Cc1nc2cc(C(=O)O)ccc2n1CCNC(=O)NC1CCCC1.
What is the InChIKey of 1-[2-(cyclopentylcarbamoylamino)ethyl]-2-methylbenzimidazole-5-carboxylic acid?
The InChIKey is MOSMEOOEEUBKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-11-19-14-10-12(16(22)23)6-7-15(14)21(11)9-8-18-17(24)20-13-4-2-3-5-13/h6-7,10,13H,2-5,8-9H2,1H3,(H,22,23)(H2,18,20,24).
What are the key properties of 1-[2-(cyclopentylcarbamoylamino)ethyl]-2-methylbenzimidazole-5-carboxylic acid?
1-[2-(cyclopentylcarbamoylamino)ethyl]-2-methylbenzimidazole-5-carboxylic acid has a molecular weight of 330.39 g/mol, XLogP of 2.28, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopentylcarbamoylamino)ethyl]-2-methylbenzimidazole-5-carboxylic acid is sourced from PubChem (CID 50742509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).