7-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-2-[(2S)-pyrrolidin-2-yl]-3,4-dihydrochromeno[3,4-d]imidazole

C28H29N5O — CID 159258516

IUPAC7-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-2-[(2S)-pyrrolidin-2-yl]-3,4-dihydrochromeno[3,4-d]imidazole
SMILESc1cc(-c2cnc(C3CCCC3)[nH]2)ccc1-c1ccc2c(c1)OCc1[nH]c([C@@H]3CCCN3)nc1-2
InChIInChI=1S/C28H29N5O/c1-2-5-19(4-1)27-30-15-23(31-27)18-9-7-17(8-10-18)20-11-12-21-25(14-20)34-16-24-26(21)33-28(32-24)22-6-3-13-29-22/h7-12,14-15,19,22,29H,1-6,13,16H2,(H,30,31)(H,32,33)/t22-/m0/s1
InChIKeyCOLCWOFYTRHSFN-QFIPXVFZSA-N
MW451.57 g/mol
LogP6.11
Rot. Bonds4

About 7-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-2-[(2S)-pyrrolidin-2-yl]-3,4-dihydrochromeno[3,4-d]imidazole

7-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-2-[(2S)-pyrrolidin-2-yl]-3,4-dihydrochromeno[3,4-d]imidazole (PubChem CID 159258516) has the molecular formula C28H29N5O and a molecular weight of 451.57 g/mol. Its IUPAC name is 7-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-2-[(2S)-pyrrolidin-2-yl]-3,4-dihydrochromeno[3,4-d]imidazole.

Molecular Properties

Compound Name7-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-2-[(2S)-pyrrolidin-2-yl]-3,4-dihydrochromeno[3,4-d]imidazole
PubChem CID159258516
Molecular FormulaC28H29N5O
Molecular Weight451.57 g/mol
Exact Mass451.24
IUPAC Name7-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-2-[(2S)-pyrrolidin-2-yl]-3,4-dihydrochromeno[3,4-d]imidazole
SMILESc1cc(-c2cnc(C3CCCC3)[nH]2)ccc1-c1ccc2c(c1)OCc1[nH]c([C@@H]3CCCN3)nc1-2
InChIInChI=1S/C28H29N5O/c1-2-5-19(4-1)27-30-15-23(31-27)18-9-7-17(8-10-18)20-11-12-21-25(14-20)34-16-24-26(21)33-28(32-24)22-6-3-13-29-22/h7-12,14-15,19,22,29H,1-6,13,16H2,(H,30,31)(H,32,33)/t22-/m0/s1
InChIKeyCOLCWOFYTRHSFN-QFIPXVFZSA-N
XLogP6.11
TPSA78.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.57
LogP ≤ 56.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 44554434
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CID 127030229
2-[3-(Benzyloxy)-4-cyclopentyl-2-fluorophenyl]-5H-pyrrolo[2,3-b]pyrazine
CID 90310869
6-(4-fluorophenyl)-5-(4-methylphenyl)-8-[[(3R)-pyrrolidin-3-yl]methoxy]imidazo[1,5-a]pyridine
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CID 75367422
N-(3,4-dihydrochromeno[3,4-d]imidazol-2-ylmethyl)-N-methyl-1-phenylmethanamine
CID 15872046
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Frequently Asked Questions

What is the IUPAC name of 7-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-2-[(2S)-pyrrolidin-2-yl]-3,4-dihydrochromeno[3,4-d]imidazole?
The IUPAC name of 7-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-2-[(2S)-pyrrolidin-2-yl]-3,4-dihydrochromeno[3,4-d]imidazole (CID 159258516) is 7-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-2-[(2S)-pyrrolidin-2-yl]-3,4-dihydrochromeno[3,4-d]imidazole.
What is the SMILES notation for 7-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-2-[(2S)-pyrrolidin-2-yl]-3,4-dihydrochromeno[3,4-d]imidazole?
The canonical SMILES for 7-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-2-[(2S)-pyrrolidin-2-yl]-3,4-dihydrochromeno[3,4-d]imidazole is c1cc(-c2cnc(C3CCCC3)[nH]2)ccc1-c1ccc2c(c1)OCc1[nH]c([C@@H]3CCCN3)nc1-2.
What is the InChIKey of 7-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-2-[(2S)-pyrrolidin-2-yl]-3,4-dihydrochromeno[3,4-d]imidazole?
The InChIKey is COLCWOFYTRHSFN-QFIPXVFZSA-N. The full InChI is InChI=1S/C28H29N5O/c1-2-5-19(4-1)27-30-15-23(31-27)18-9-7-17(8-10-18)20-11-12-21-25(14-20)34-16-24-26(21)33-28(32-24)22-6-3-13-29-22/h7-12,14-15,19,22,29H,1-6,13,16H2,(H,30,31)(H,32,33)/t22-/m0/s1.
What are the key properties of 7-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-2-[(2S)-pyrrolidin-2-yl]-3,4-dihydrochromeno[3,4-d]imidazole?
7-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-2-[(2S)-pyrrolidin-2-yl]-3,4-dihydrochromeno[3,4-d]imidazole has a molecular weight of 451.57 g/mol, XLogP of 6.11, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-2-[(2S)-pyrrolidin-2-yl]-3,4-dihydrochromeno[3,4-d]imidazole is sourced from PubChem (CID 159258516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).