1-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea

C17H22N6O — CID 126452559

IUPAC1-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
SMILESC[C@H](Cn1cccn1)NC(=O)N(C)Cc1nc2ccccc2n1C
InChIInChI=1S/C17H22N6O/c1-13(11-23-10-6-9-18-23)19-17(24)21(2)12-16-20-14-7-4-5-8-15(14)22(16)3/h4-10,13H,11-12H2,1-3H3,(H,19,24)/t13-/m1/s1
InChIKeyYMIFZKIDMSAWCI-CYBMUJFWSA-N
MW326.40 g/mol
LogP2.00
Rot. Bonds5

About 1-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea

1-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea (PubChem CID 126452559) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea.

Molecular Properties

Compound Name1-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
PubChem CID126452559
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Name1-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
SMILESC[C@H](Cn1cccn1)NC(=O)N(C)Cc1nc2ccccc2n1C
InChIInChI=1S/C17H22N6O/c1-13(11-23-10-6-9-18-23)19-17(24)21(2)12-16-20-14-7-4-5-8-15(14)22(16)3/h4-10,13H,11-12H2,1-3H3,(H,19,24)/t13-/m1/s1
InChIKeyYMIFZKIDMSAWCI-CYBMUJFWSA-N
XLogP2.00
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-1-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]urea
CID 126453180
1-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-3-[(1R)-2-methyl-1-pyridin-3-ylpropyl]urea
CID 125438567
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(1-pyrazol-1-ylpropan-2-yl)urea
CID 51084495
N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-3-propan-2-yloxypropanamide
CID 56787204
1,1-diethyl-3-(1-pyrazol-1-ylpropan-2-yl)urea
CID 115583841
(2S)-N-benzyl-2-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]propanamide
CID 97064350
N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 751102
2-methoxy-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-phenylacetamide
CID 56739020
1-cyclopropyl-1-[(4-hydroxyphenyl)methyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea
CID 94174687
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide
CID 131940714
2-[bis[(1-methylbenzimidazol-2-yl)methyl]amino]acetic acid
CID 101152444
N-[1-methyl-2-[[methyl(propan-2-ylcarbamoyl)amino]methyl]benzimidazol-5-yl]-3-phenylpropanamide
CID 52901844

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea?
The IUPAC name of 1-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea (CID 126452559) is 1-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea.
What is the SMILES notation for 1-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea?
The canonical SMILES for 1-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea is C[C@H](Cn1cccn1)NC(=O)N(C)Cc1nc2ccccc2n1C.
What is the InChIKey of 1-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea?
The InChIKey is YMIFZKIDMSAWCI-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H22N6O/c1-13(11-23-10-6-9-18-23)19-17(24)21(2)12-16-20-14-7-4-5-8-15(14)22(16)3/h4-10,13H,11-12H2,1-3H3,(H,19,24)/t13-/m1/s1.
What are the key properties of 1-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea?
1-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea has a molecular weight of 326.40 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea is sourced from PubChem (CID 126452559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).