1-[(2R,4R)-2-(1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]-3-cyclopentylurea;hydrochloride

C19H28ClN5O — CID 67266678

IUPAC1-[(2R,4R)-2-(1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]-3-cyclopentylurea;hydrochloride
SMILESCN1CC[C@@H](NC(=O)NC2CCCC2)C[C@@H]1c1nc2ccccc2[nH]1.Cl
InChIInChI=1S/C19H27N5O.ClH/c1-24-11-10-14(21-19(25)20-13-6-2-3-7-13)12-17(24)18-22-15-8-4-5-9-16(15)23-18;/h4-5,8-9,13-14,17H,2-3,6-7,10-12H2,1H3,(H,22,23)(H2,20,21,25);1H/t14-,17-;/m1./s1
InChIKeyLQOMYRKVNPFCRP-SATBOSKTSA-N
MW377.92 g/mol
LogP3.36
Rot. Bonds3

About 1-[(2R,4R)-2-(1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]-3-cyclopentylurea;hydrochloride

1-[(2R,4R)-2-(1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]-3-cyclopentylurea;hydrochloride (PubChem CID 67266678) has the molecular formula C19H28ClN5O and a molecular weight of 377.92 g/mol. Its IUPAC name is 1-[(2R,4R)-2-(1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]-3-cyclopentylurea;hydrochloride.

Molecular Properties

Compound Name1-[(2R,4R)-2-(1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]-3-cyclopentylurea;hydrochloride
PubChem CID67266678
Molecular FormulaC19H28ClN5O
Molecular Weight377.92 g/mol
Exact Mass377.20
IUPAC Name1-[(2R,4R)-2-(1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]-3-cyclopentylurea;hydrochloride
SMILESCN1CC[C@@H](NC(=O)NC2CCCC2)C[C@@H]1c1nc2ccccc2[nH]1.Cl
InChIInChI=1S/C19H27N5O.ClH/c1-24-11-10-14(21-19(25)20-13-6-2-3-7-13)12-17(24)18-22-15-8-4-5-9-16(15)23-18;/h4-5,8-9,13-14,17H,2-3,6-7,10-12H2,1H3,(H,22,23)(H2,20,21,25);1H/t14-,17-;/m1./s1
InChIKeyLQOMYRKVNPFCRP-SATBOSKTSA-N
XLogP3.36
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.92
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R,4R)-2-(1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]-3-(4-cyanophenyl)urea;hydrate;hydrochloride
CID 70696573
1-[(4R)-2-(1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]-3-(4-cyanophenyl)urea
CID 174192810
N-[2-(1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]morpholine-4-carboxamide
CID 76559574
N-[2-(1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]-4-(2,2,2-trifluoroacetyl)benzamide
CID 76559507
N-[(2R,4S)-2-(1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;hydrochloride
CID 67266369
1-[(2R,4R)-2-(1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]-3-(4-cyanophenyl)urea;(Z)-but-2-ene
CID 167464720
N-[(2R,4R)-2-(1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]-4-fluoro-3-methoxycyclohexa-1,3-diene-1-carboxamide
CID 163652592
(4-cyanophenyl) N-[(2R,4R)-2-(1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]carbamate
CID 134555972
N-[2-(1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]-6-chloro-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 76559603
[2-[[(2R,4R)-2-(1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]amino]-1-indazol-2-yl-2-oxoethyl] 2,2,2-trifluoroacetate
CID 67266249
1-[(2R,4R)-2-(6-chloro-1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]-3-(6-methyl-3-pyridinyl)urea;hydrochloride
CID 67266315
1-[(2R,4R)-2-(6-fluoro-1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]-3-[6-(trifluoromethyl)-3-pyridinyl]urea;hydrochloride
CID 67266715

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4R)-2-(1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]-3-cyclopentylurea;hydrochloride?
The IUPAC name of 1-[(2R,4R)-2-(1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]-3-cyclopentylurea;hydrochloride (CID 67266678) is 1-[(2R,4R)-2-(1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]-3-cyclopentylurea;hydrochloride.
What is the SMILES notation for 1-[(2R,4R)-2-(1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]-3-cyclopentylurea;hydrochloride?
The canonical SMILES for 1-[(2R,4R)-2-(1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]-3-cyclopentylurea;hydrochloride is CN1CC[C@@H](NC(=O)NC2CCCC2)C[C@@H]1c1nc2ccccc2[nH]1.Cl.
What is the InChIKey of 1-[(2R,4R)-2-(1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]-3-cyclopentylurea;hydrochloride?
The InChIKey is LQOMYRKVNPFCRP-SATBOSKTSA-N. The full InChI is InChI=1S/C19H27N5O.ClH/c1-24-11-10-14(21-19(25)20-13-6-2-3-7-13)12-17(24)18-22-15-8-4-5-9-16(15)23-18;/h4-5,8-9,13-14,17H,2-3,6-7,10-12H2,1H3,(H,22,23)(H2,20,21,25);1H/t14-,17-;/m1./s1.
What are the key properties of 1-[(2R,4R)-2-(1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]-3-cyclopentylurea;hydrochloride?
1-[(2R,4R)-2-(1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]-3-cyclopentylurea;hydrochloride has a molecular weight of 377.92 g/mol, XLogP of 3.36, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,4R)-2-(1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]-3-cyclopentylurea;hydrochloride is sourced from PubChem (CID 67266678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).