1-methyl-2-[[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]benzimidazole

C18H21N5 — CID 125023444

IUPAC1-methyl-2-[[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]benzimidazole
SMILESCc1ccnc([C@@H]2CCN(Cc3nc4ccccc4n3C)C2)n1
InChIInChI=1S/C18H21N5/c1-13-7-9-19-18(20-13)14-8-10-23(11-14)12-17-21-15-5-3-4-6-16(15)22(17)2/h3-7,9,14H,8,10-12H2,1-2H3/t14-/m1/s1
InChIKeyYYEKYBFTMHUHJI-CQSZACIVSA-N
MW307.40 g/mol
LogP2.66
Rot. Bonds3

About 1-methyl-2-[[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]benzimidazole

1-methyl-2-[[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]benzimidazole (PubChem CID 125023444) has the molecular formula C18H21N5 and a molecular weight of 307.40 g/mol. Its IUPAC name is 1-methyl-2-[[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]benzimidazole.

Molecular Properties

Compound Name1-methyl-2-[[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]benzimidazole
PubChem CID125023444
Molecular FormulaC18H21N5
Molecular Weight307.40 g/mol
Exact Mass307.18
IUPAC Name1-methyl-2-[[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]benzimidazole
SMILESCc1ccnc([C@@H]2CCN(Cc3nc4ccccc4n3C)C2)n1
InChIInChI=1S/C18H21N5/c1-13-7-9-19-18(20-13)14-8-10-23(11-14)12-17-21-15-5-3-4-6-16(15)22(17)2/h3-7,9,14H,8,10-12H2,1-2H3/t14-/m1/s1
InChIKeyYYEKYBFTMHUHJI-CQSZACIVSA-N
XLogP2.66
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-4-[(1-methylbenzimidazol-2-yl)methyl]-2-(4-methylpyrimidin-2-yl)morpholine
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CID 95845112
4-methyl-2-[(3R)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]pyrimidine
CID 124999909
2-[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-4-methylpyrimidine
CID 124953007
4-methyl-2-[1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-3-yl]pyrimidine
CID 110103691
4-methyl-2-[(3R)-1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-3-yl]pyrimidine
CID 124947102
1-methyl-2-[(4-methylpiperidin-1-yl)methyl]benzimidazole
CID 6491167
2-[1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]-4-methylpyrimidine
CID 118739859
2-[(3R)-1-[(2,3-difluorophenyl)methyl]pyrrolidin-3-yl]-4-methylpyrimidine
CID 125000961
1-methyl-2-[[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]benzimidazole
CID 124941136
2-(2-methylbenzimidazol-1-yl)-1-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone
CID 175652470
4-methyl-2-[(3S)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrimidine
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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]benzimidazole?
The IUPAC name of 1-methyl-2-[[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]benzimidazole (CID 125023444) is 1-methyl-2-[[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]benzimidazole.
What is the SMILES notation for 1-methyl-2-[[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]benzimidazole?
The canonical SMILES for 1-methyl-2-[[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]benzimidazole is Cc1ccnc([C@@H]2CCN(Cc3nc4ccccc4n3C)C2)n1.
What is the InChIKey of 1-methyl-2-[[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]benzimidazole?
The InChIKey is YYEKYBFTMHUHJI-CQSZACIVSA-N. The full InChI is InChI=1S/C18H21N5/c1-13-7-9-19-18(20-13)14-8-10-23(11-14)12-17-21-15-5-3-4-6-16(15)22(17)2/h3-7,9,14H,8,10-12H2,1-2H3/t14-/m1/s1.
What are the key properties of 1-methyl-2-[[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]benzimidazole?
1-methyl-2-[[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]benzimidazole has a molecular weight of 307.40 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]benzimidazole is sourced from PubChem (CID 125023444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).