1-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-3-methylurea

C14H17N5O — CID 59468844

IUPAC1-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-3-methylurea
SMILESCNC(=O)Nc1ccc2c(c1)N(Cc1cnc[nH]1)CC2
InChIInChI=1S/C14H17N5O/c1-15-14(20)18-11-3-2-10-4-5-19(13(10)6-11)8-12-7-16-9-17-12/h2-3,6-7,9H,4-5,8H2,1H3,(H,16,17)(H2,15,18,20)
InChIKeyNFEBXNBTTIFBRF-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.72
Rot. Bonds3

About 1-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-3-methylurea

1-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-3-methylurea (PubChem CID 59468844) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-3-methylurea.

Molecular Properties

Compound Name1-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-3-methylurea
PubChem CID59468844
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name1-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-3-methylurea
SMILESCNC(=O)Nc1ccc2c(c1)N(Cc1cnc[nH]1)CC2
InChIInChI=1S/C14H17N5O/c1-15-14(20)18-11-3-2-10-4-5-19(13(10)6-11)8-12-7-16-9-17-12/h2-3,6-7,9H,4-5,8H2,1H3,(H,16,17)(H2,15,18,20)
InChIKeyNFEBXNBTTIFBRF-UHFFFAOYSA-N
XLogP1.72
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-3-methylurea?
The IUPAC name of 1-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-3-methylurea (CID 59468844) is 1-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-3-methylurea.
What is the SMILES notation for 1-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-3-methylurea?
The canonical SMILES for 1-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-3-methylurea is CNC(=O)Nc1ccc2c(c1)N(Cc1cnc[nH]1)CC2.
What is the InChIKey of 1-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-3-methylurea?
The InChIKey is NFEBXNBTTIFBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-15-14(20)18-11-3-2-10-4-5-19(13(10)6-11)8-12-7-16-9-17-12/h2-3,6-7,9H,4-5,8H2,1H3,(H,16,17)(H2,15,18,20).
What are the key properties of 1-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-3-methylurea?
1-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-3-methylurea has a molecular weight of 271.32 g/mol, XLogP of 1.72, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-3-methylurea is sourced from PubChem (CID 59468844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).